data_4318 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of 1H, 13C, and 15N Resonances of Reduced Escherichia coli Glutaredoxin 2 ; _BMRB_accession_number 4318 _BMRB_flat_file_name bmr4318.str _Entry_type original _Submission_date 1999-03-12 _Accession_date 1999-03-12 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Xia Bin . . 2 Chung John . . 3 Vlamis-Gardikas Alexios . . 4 Holmgren Arne . . 5 Wright Peter E. . 6 Dyson H. Jane . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 933 "13C chemical shifts" 788 "15N chemical shifts" 193 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1999-08-12 original author . stop_ _Original_release_date 1999-08-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Xia, B., Chung, J., Vlamis-Gardikas, A., Holmgren, A., Wright, P. E., and Dyson, H. J., "Assignment of 1H, 13C, and 15N Resonances of Reduced Escherichia coli Glutaredoxin 2," J. Biomol. NMR 14, 197-198 (1999). ; _Citation_title ; Assignment of 1H, 13C, and 15N Resonances of Reduced Escherichia coli Glutaredoxin 2 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 99356757 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Xia Bin . . 2 Chung John . . 3 Vlamis-Gardikas Alexios . . 4 Holmgren Arne . . 5 Wright Peter E. . 6 Dyson H. Jane . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of Biomolecular NMR' _Journal_volume 14 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 197 _Page_last 198 _Year 1999 _Details . loop_ _Keyword glutaredoxin NMR thioredoxin stop_ save_ ################################## # Molecular system description # ################################## save_system_Grx2 _Saveframe_category molecular_system _Mol_system_name 'glutaredoxin 2' _Abbreviation_common Grx2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'glutaredoxin 2' $Grx2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Grx2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'glutaredoxin 2' _Abbreviation_common Grx2 _Molecular_mass . _Mol_thiol_state . _Details 'No disulfides exist in the molecule' ############################## # Polymer residue sequence # ############################## _Residue_count 215 _Mol_residue_sequence ; MKLYIYDHCPYCLKARMIFG LKNIPVELHVLLNDDAETPT RMVGQKQVPILQKDDSRYMP ESMDIVHYVDKLDGKPLLTG KRSPAIEEWLRKVNGYANKL LLPRFAKSAFDEFSTPAARK YFVDKKEASAGNFADLLAHS DGLIKNISDDLRALDKLIVK PNAVNGELSEDDIQLFPLLR NLTLVAGINWPSRVADYRDN MAKQTQINLLSSMAI ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 LEU 4 TYR 5 ILE 6 TYR 7 ASP 8 HIS 9 CYS 10 PRO 11 TYR 12 CYS 13 LEU 14 LYS 15 ALA 16 ARG 17 MET 18 ILE 19 PHE 20 GLY 21 LEU 22 LYS 23 ASN 24 ILE 25 PRO 26 VAL 27 GLU 28 LEU 29 HIS 30 VAL 31 LEU 32 LEU 33 ASN 34 ASP 35 ASP 36 ALA 37 GLU 38 THR 39 PRO 40 THR 41 ARG 42 MET 43 VAL 44 GLY 45 GLN 46 LYS 47 GLN 48 VAL 49 PRO 50 ILE 51 LEU 52 GLN 53 LYS 54 ASP 55 ASP 56 SER 57 ARG 58 TYR 59 MET 60 PRO 61 GLU 62 SER 63 MET 64 ASP 65 ILE 66 VAL 67 HIS 68 TYR 69 VAL 70 ASP 71 LYS 72 LEU 73 ASP 74 GLY 75 LYS 76 PRO 77 LEU 78 LEU 79 THR 80 GLY 81 LYS 82 ARG 83 SER 84 PRO 85 ALA 86 ILE 87 GLU 88 GLU 89 TRP 90 LEU 91 ARG 92 LYS 93 VAL 94 ASN 95 GLY 96 TYR 97 ALA 98 ASN 99 LYS 100 LEU 101 LEU 102 LEU 103 PRO 104 ARG 105 PHE 106 ALA 107 LYS 108 SER 109 ALA 110 PHE 111 ASP 112 GLU 113 PHE 114 SER 115 THR 116 PRO 117 ALA 118 ALA 119 ARG 120 LYS 121 TYR 122 PHE 123 VAL 124 ASP 125 LYS 126 LYS 127 GLU 128 ALA 129 SER 130 ALA 131 GLY 132 ASN 133 PHE 134 ALA 135 ASP 136 LEU 137 LEU 138 ALA 139 HIS 140 SER 141 ASP 142 GLY 143 LEU 144 ILE 145 LYS 146 ASN 147 ILE 148 SER 149 ASP 150 ASP 151 LEU 152 ARG 153 ALA 154 LEU 155 ASP 156 LYS 157 LEU 158 ILE 159 VAL 160 LYS 161 PRO 162 ASN 163 ALA 164 VAL 165 ASN 166 GLY 167 GLU 168 LEU 169 SER 170 GLU 171 ASP 172 ASP 173 ILE 174 GLN 175 LEU 176 PHE 177 PRO 178 LEU 179 LEU 180 ARG 181 ASN 182 LEU 183 THR 184 LEU 185 VAL 186 ALA 187 GLY 188 ILE 189 ASN 190 TRP 191 PRO 192 SER 193 ARG 194 VAL 195 ALA 196 ASP 197 TYR 198 ARG 199 ASP 200 ASN 201 MET 202 ALA 203 LYS 204 GLN 205 THR 206 GLN 207 ILE 208 ASN 209 LEU 210 LEU 211 SER 212 SER 213 MET 214 ALA 215 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-17 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1G7O "Nmr Solution Structure Of Reduced E. Coli Glutaredoxin 2" 100.00 215 100.00 100.00 2.84e-155 PDB 4KSM "Crystal Structure Of Escherichia Coli Glutraredoxin 2 C9s/c12s Mutant Without Glutathione" 100.00 216 99.07 99.07 5.48e-153 PDB 4KX4 "Crystal Structure Of Escherichia Coli Glutaredoxin 2 Complex With Glutathione" 100.00 217 99.53 100.00 1.77e-154 DBJ BAA35872 "glutaredoxin 2 [Escherichia coli str. K12 substr. W3110]" 100.00 215 100.00 100.00 2.84e-155 DBJ BAB34865 "glutaredoxin 2 [Escherichia coli O157:H7 str. Sakai]" 100.00 215 100.00 100.00 2.84e-155 DBJ BAG76651 "glutaredoxin 2 [Escherichia coli SE11]" 100.00 215 100.00 100.00 2.84e-155 DBJ BAI24698 "glutaredoxin 2 [Escherichia coli O26:H11 str. 11368]" 100.00 215 99.53 99.53 2.39e-154 DBJ BAI29948 "glutaredoxin 2 [Escherichia coli O103:H2 str. 12009]" 100.00 215 99.53 99.53 2.39e-154 EMBL CAA63058 "glutaredoxin 2 [Escherichia coli K-12]" 100.00 215 100.00 100.00 2.84e-155 EMBL CAP75556 "glutaredoxin-2 [Escherichia coli LF82]" 100.00 215 100.00 100.00 2.84e-155 EMBL CAQ31585 "reduced glutaredoxin 2 [Escherichia coli BL21(DE3)]" 100.00 215 100.00 100.00 2.84e-155 EMBL CAQ97963 "glutaredoxin 2 (Grx2) [Escherichia coli IAI1]" 100.00 215 100.00 100.00 2.84e-155 EMBL CAR02405 "glutaredoxin 2 (Grx2) [Escherichia coli S88]" 100.00 215 100.00 100.00 2.84e-155 GB AAC74148 "glutaredoxin 2 (Grx2) [Escherichia coli str. K-12 substr. MG1655]" 100.00 215 100.00 100.00 2.84e-155 GB AAG55810 "glutaredoxin 2 [Escherichia coli O157:H7 str. EDL933]" 100.00 215 100.00 100.00 2.84e-155 GB AAN42692 "glutaredoxin 2 [Shigella flexneri 2a str. 301]" 100.00 215 99.07 99.53 4.18e-154 GB AAN79804 "Glutaredoxin 2 [Escherichia coli CFT073]" 100.00 215 100.00 100.00 2.84e-155 GB AAP16579 "glutaredoxin 2 [Shigella flexneri 2a str. 2457T]" 100.00 215 99.07 99.53 4.18e-154 REF NP_309469 "glutaredoxin [Escherichia coli O157:H7 str. Sakai]" 100.00 215 100.00 100.00 2.84e-155 REF NP_415582 "glutaredoxin 2 (Grx2) [Escherichia coli str. K-12 substr. MG1655]" 100.00 215 100.00 100.00 2.84e-155 REF NP_706985 "glutaredoxin [Shigella flexneri 2a str. 301]" 100.00 215 99.07 99.53 4.18e-154 REF WP_000780905 "glutaredoxin 2 [Escherichia coli]" 100.00 215 99.53 99.53 5.09e-154 REF WP_000780906 "glutaredoxin 2 [Escherichia coli]" 100.00 215 99.53 100.00 4.54e-155 SP P0AC59 "RecName: Full=Glutaredoxin-2; Short=Grx2" 100.00 215 100.00 100.00 2.84e-155 SP P0AC60 "RecName: Full=Glutaredoxin-2; Short=Grx2" 100.00 215 100.00 100.00 2.84e-155 SP P0AC61 "RecName: Full=Glutaredoxin-2; Short=Grx2" 100.00 215 100.00 100.00 2.84e-155 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Grx2 'E. coli' 562 Eubacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Grx2 'recombinant technology' 'E. coli' Escherichia coli Bl21(DE3) plasmid stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Grx2 . mM 1.5 2.5 '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.1 na temperature 293 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'glutaredoxin 2' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 MET HA H 4.11 . 1 2 . 1 MET HB2 H 2.32 . 2 3 . 1 MET HB3 H 2.12 . 2 4 . 1 MET HG2 H 2.84 . 2 5 . 1 MET HE H 2.38 . 1 6 . 1 MET C C 172.52 . 1 7 . 1 MET CA C 56.12 . 1 8 . 1 MET CB C 36.26 . 1 9 . 1 MET CG C 33.18 . 1 10 . 1 MET CE C 18.79 . 1 11 . 2 LYS H H 8.17 . 1 12 . 2 LYS HA H 5.16 . 1 13 . 2 LYS HB2 H 1.65 . 2 14 . 2 LYS HB3 H 1.43 . 2 15 . 2 LYS HG2 H 1.35 . 2 16 . 2 LYS HE2 H 2.87 . 2 17 . 2 LYS C C 173.24 . 1 18 . 2 LYS CA C 54.48 . 1 19 . 2 LYS CB C 37.30 . 1 20 . 2 LYS CG C 29.65 . 1 21 . 2 LYS CD C 24.99 . 1 22 . 2 LYS CE C 42.07 . 1 23 . 2 LYS N N 119.74 . 1 24 . 3 LEU H H 8.74 . 1 25 . 3 LEU HA H 5.28 . 1 26 . 3 LEU HB2 H 1.46 . 2 27 . 3 LEU HB3 H 0.92 . 2 28 . 3 LEU HG H 1.30 . 1 29 . 3 LEU HD1 H 0.86 . 2 30 . 3 LEU HD2 H 0.73 . 2 31 . 3 LEU C C 173.80 . 1 32 . 3 LEU CA C 53.06 . 1 33 . 3 LEU CB C 46.45 . 1 34 . 3 LEU CG C 26.72 . 1 35 . 3 LEU CD1 C 24.76 . 2 36 . 3 LEU CD2 C 25.97 . 2 37 . 3 LEU N N 124.60 . 1 38 . 4 TYR H H 9.38 . 1 39 . 4 TYR HA H 5.42 . 1 40 . 4 TYR HB2 H 2.90 . 2 41 . 4 TYR HB3 H 2.65 . 2 42 . 4 TYR C C 177.21 . 1 43 . 4 TYR CA C 57.54 . 1 44 . 4 TYR CB C 38.94 . 1 45 . 4 TYR N N 126.89 . 1 46 . 5 ILE H H 8.51 . 1 47 . 5 ILE HA H 4.98 . 1 48 . 5 ILE HB H 1.68 . 1 49 . 5 ILE HG12 H 1.60 . 2 50 . 5 ILE HG13 H 0.80 . 2 51 . 5 ILE HG2 H 0.70 . 1 52 . 5 ILE HD1 H 0.67 . 1 53 . 5 ILE C C 174.92 . 1 54 . 5 ILE CA C 59.88 . 1 55 . 5 ILE CB C 44.58 . 1 56 . 5 ILE CG2 C 18.71 . 1 57 . 5 ILE CD1 C 15.33 . 1 58 . 5 ILE N N 111.59 . 1 59 . 6 TYR H H 7.46 . 1 60 . 6 TYR HA H 4.88 . 1 61 . 6 TYR HB2 H 2.12 . 2 62 . 6 TYR HD1 H 6.90 . 3 63 . 6 TYR HE1 H 6.43 . 3 64 . 6 TYR C C 176.53 . 1 65 . 6 TYR CA C 54.94 . 1 66 . 6 TYR CB C 38.95 . 1 67 . 6 TYR N N 115.73 . 1 68 . 7 ASP H H 9.87 . 1 69 . 7 ASP HA H 4.24 . 1 70 . 7 ASP HB2 H 2.85 . 2 71 . 7 ASP HB3 H 2.76 . 2 72 . 7 ASP C C 178.56 . 1 73 . 7 ASP CA C 57.30 . 1 74 . 7 ASP CB C 38.95 . 1 75 . 7 ASP N N 128.91 . 1 76 . 8 HIS H H 9.20 . 1 77 . 8 HIS HA H 4.63 . 1 78 . 8 HIS HB2 H 3.07 . 2 79 . 8 HIS HB3 H 2.45 . 2 80 . 8 HIS HD1 H 6.30 . 1 81 . 8 HIS C C 172.48 . 1 82 . 8 HIS CA C 58.47 . 1 83 . 8 HIS CB C 26.00 . 1 84 . 8 HIS N N 116.11 . 1 85 . 9 CYS H H 5.44 . 1 86 . 9 CYS HA H 4.03 . 1 87 . 9 CYS HB2 H 3.15 . 2 88 . 9 CYS CA C 56.36 . 1 89 . 9 CYS CB C 31.42 . 1 90 . 9 CYS N N 118.48 . 1 91 . 10 PRO HA H 4.33 . 1 92 . 10 PRO HB2 H 2.29 . 2 93 . 10 PRO HB3 H 1.78 . 2 94 . 10 PRO HG2 H 2.09 . 2 95 . 10 PRO HG3 H 1.94 . 2 96 . 10 PRO HD2 H 3.72 . 2 97 . 10 PRO C C 178.71 . 1 98 . 10 PRO CA C 64.37 . 1 99 . 10 PRO CB C 31.91 . 1 100 . 10 PRO CG C 27.44 . 1 101 . 10 PRO CD C 50.31 . 1 102 . 11 TYR H H 9.18 . 1 103 . 11 TYR HA H 4.06 . 1 104 . 11 TYR HB2 H 2.94 . 2 105 . 11 TYR HD1 H 7.42 . 3 106 . 11 TYR HE1 H 7.03 . 3 107 . 11 TYR C C 179.53 . 1 108 . 11 TYR CA C 62.49 . 1 109 . 11 TYR CB C 37.53 . 1 110 . 11 TYR N N 125.00 . 1 111 . 12 CYS H H 9.18 . 1 112 . 12 CYS HA H 3.94 . 1 113 . 12 CYS HB2 H 3.51 . 2 114 . 12 CYS C C 177.32 . 1 115 . 12 CYS CA C 63.88 . 1 116 . 12 CYS CB C 29.29 . 1 117 . 12 CYS N N 125.60 . 1 118 . 13 LEU H H 8.47 . 1 119 . 13 LEU HA H 3.91 . 1 120 . 13 LEU HB2 H 2.33 . 2 121 . 13 LEU HG H 1.97 . 1 122 . 13 LEU HD1 H 0.82 . 2 123 . 13 LEU HD2 H 0.90 . 2 124 . 13 LEU C C 178.40 . 1 125 . 13 LEU CA C 58.46 . 1 126 . 13 LEU CB C 41.76 . 1 127 . 13 LEU CG C 26.14 . 1 128 . 13 LEU CD1 C 24.25 . 2 129 . 13 LEU CD2 C 27.06 . 2 130 . 13 LEU N N 120.63 . 1 131 . 14 LYS H H 7.80 . 1 132 . 14 LYS HA H 3.82 . 1 133 . 14 LYS HB2 H 2.11 . 2 134 . 14 LYS HB3 H 1.57 . 2 135 . 14 LYS C C 176.69 . 1 136 . 14 LYS CA C 61.29 . 1 137 . 14 LYS CB C 33.52 . 1 138 . 14 LYS N N 119.27 . 1 139 . 15 ALA H H 6.69 . 1 140 . 15 ALA HA H 4.09 . 1 141 . 15 ALA HB H 1.53 . 1 142 . 15 ALA C C 178.34 . 1 143 . 15 ALA CA C 54.48 . 1 144 . 15 ALA CB C 19.16 . 1 145 . 15 ALA N N 114.82 . 1 146 . 16 ARG H H 8.20 . 1 147 . 16 ARG HA H 3.87 . 1 148 . 16 ARG HB2 H 2.12 . 2 149 . 16 ARG HD2 H 3.52 . 2 150 . 16 ARG C C 180.31 . 1 151 . 16 ARG CA C 59.89 . 1 152 . 16 ARG CB C 32.10 . 1 153 . 16 ARG CD C 38.02 . 1 154 . 16 ARG N N 114.06 . 1 155 . 17 MET H H 8.75 . 1 156 . 17 MET HA H 3.73 . 1 157 . 17 MET HB2 H 2.53 . 2 158 . 17 MET HG2 H 2.32 . 2 159 . 17 MET HE H 1.81 . 1 160 . 17 MET C C 178.03 . 1 161 . 17 MET CA C 60.60 . 1 162 . 17 MET CB C 34.23 . 1 163 . 17 MET CG C 31.89 . 1 164 . 17 MET CE C 14.31 . 1 165 . 17 MET N N 118.86 . 1 166 . 18 ILE H H 6.89 . 1 167 . 18 ILE HA H 4.24 . 1 168 . 18 ILE HB H 1.63 . 1 169 . 18 ILE HG12 H 1.45 . 2 170 . 18 ILE HG13 H 1.25 . 2 171 . 18 ILE HG2 H 1.04 . 1 172 . 18 ILE HD1 H 0.92 . 1 173 . 18 ILE C C 175.10 . 1 174 . 18 ILE CA C 60.36 . 1 175 . 18 ILE CB C 39.65 . 1 176 . 18 ILE CG1 C 26.95 . 1 177 . 18 ILE CG2 C 18.93 . 1 178 . 18 ILE CD1 C 13.45 . 1 179 . 18 ILE N N 114.59 . 1 180 . 19 PHE H H 6.88 . 1 181 . 19 PHE HA H 3.86 . 1 182 . 19 PHE HB2 H 3.52 . 2 183 . 19 PHE HB3 H 2.77 . 2 184 . 19 PHE HD1 H 7.53 . 3 185 . 19 PHE HE1 H 7.12 . 3 186 . 19 PHE C C 177.91 . 1 187 . 19 PHE CA C 63.89 . 1 188 . 19 PHE CB C 38.70 . 1 189 . 19 PHE N N 120.44 . 1 190 . 20 GLY H H 7.32 . 1 191 . 20 GLY HA2 H 3.93 . 2 192 . 20 GLY HA3 H 3.80 . 2 193 . 20 GLY C C 176.62 . 1 194 . 20 GLY CA C 47.16 . 1 195 . 20 GLY N N 103.36 . 1 196 . 21 LEU H H 8.37 . 1 197 . 21 LEU HA H 3.99 . 1 198 . 21 LEU HB2 H 1.77 . 2 199 . 21 LEU HB3 H 1.30 . 2 200 . 21 LEU HG H 1.72 . 1 201 . 21 LEU HD1 H 0.74 . 2 202 . 21 LEU HD2 H 0.68 . 2 203 . 21 LEU C C 178.40 . 1 204 . 21 LEU CA C 57.53 . 1 205 . 21 LEU CB C 42.47 . 1 206 . 21 LEU CD1 C 22.79 . 2 207 . 21 LEU CD2 C 25.16 . 2 208 . 21 LEU N N 119.44 . 1 209 . 22 LYS H H 7.38 . 1 210 . 22 LYS HA H 4.23 . 1 211 . 22 LYS HB2 H 2.24 . 2 212 . 22 LYS HB3 H 2.01 . 2 213 . 22 LYS HG2 H 1.91 . 2 214 . 22 LYS HD2 H 1.81 . 2 215 . 22 LYS HD3 H 1.73 . 2 216 . 22 LYS HE2 H 3.03 . 2 217 . 22 LYS C C 175.38 . 1 218 . 22 LYS CA C 55.43 . 1 219 . 22 LYS CB C 32.12 . 1 220 . 22 LYS CG C 27.71 . 1 221 . 22 LYS CD C 25.56 . 1 222 . 22 LYS CE C 42.29 . 1 223 . 22 LYS N N 113.08 . 1 224 . 23 ASN H H 7.88 . 1 225 . 23 ASN HA H 4.36 . 1 226 . 23 ASN HB2 H 3.14 . 2 227 . 23 ASN HB3 H 2.77 . 2 228 . 23 ASN C C 174.28 . 1 229 . 23 ASN CA C 54.25 . 1 230 . 23 ASN CB C 37.53 . 1 231 . 23 ASN N N 117.93 . 1 232 . 24 ILE H H 8.27 . 1 233 . 24 ILE HA H 4.57 . 1 234 . 24 ILE HB H 1.63 . 1 235 . 24 ILE HG12 H 1.53 . 2 236 . 24 ILE HG13 H 1.02 . 2 237 . 24 ILE HG2 H 1.14 . 1 238 . 24 ILE HD1 H 0.69 . 1 239 . 24 ILE CA C 58.25 . 1 240 . 24 ILE CB C 41.30 . 1 241 . 24 ILE CG1 C 27.80 . 1 242 . 24 ILE CG2 C 16.89 . 1 243 . 24 ILE CD1 C 14.16 . 1 244 . 24 ILE N N 120.75 . 1 245 . 25 PRO HA H 4.42 . 1 246 . 25 PRO HB2 H 2.27 . 2 247 . 25 PRO HB3 H 1.87 . 2 248 . 25 PRO HG2 H 2.05 . 2 249 . 25 PRO HG3 H 2.00 . 2 250 . 25 PRO HD2 H 3.87 . 2 251 . 25 PRO HD3 H 3.70 . 2 252 . 25 PRO C C 175.65 . 1 253 . 25 PRO CA C 62.93 . 1 254 . 25 PRO CB C 32.40 . 1 255 . 25 PRO CG C 27.28 . 1 256 . 25 PRO CD C 51.19 . 1 257 . 26 VAL H H 8.04 . 1 258 . 26 VAL HA H 4.07 . 1 259 . 26 VAL HB H 1.27 . 1 260 . 26 VAL HG1 H 0.19 . 2 261 . 26 VAL HG2 H -0.05 . 2 262 . 26 VAL C C 172.15 . 1 263 . 26 VAL CA C 59.90 . 1 264 . 26 VAL CB C 34.23 . 1 265 . 26 VAL CG1 C 17.56 . 2 266 . 26 VAL CG2 C 21.95 . 2 267 . 26 VAL N N 119.59 . 1 268 . 27 GLU H H 7.63 . 1 269 . 27 GLU HA H 4.39 . 1 270 . 27 GLU HB2 H 1.94 . 2 271 . 27 GLU HG2 H 2.28 . 2 272 . 27 GLU HG3 H 2.03 . 2 273 . 27 GLU C C 175.06 . 1 274 . 27 GLU CA C 54.95 . 1 275 . 27 GLU CB C 31.40 . 1 276 . 27 GLU CG C 36.07 . 1 277 . 27 GLU N N 126.74 . 1 278 . 28 LEU H H 8.67 . 1 279 . 28 LEU HA H 4.73 . 1 280 . 28 LEU HB2 H 1.67 . 2 281 . 28 LEU HB3 H 1.04 . 2 282 . 28 LEU HG H 1.55 . 1 283 . 28 LEU HD1 H 0.66 . 2 284 . 28 LEU HD2 H 0.78 . 2 285 . 28 LEU C C 176.57 . 1 286 . 28 LEU CA C 54.01 . 1 287 . 28 LEU CB C 43.18 . 1 288 . 28 LEU CD1 C 24.36 . 2 289 . 28 LEU CD2 C 25.13 . 2 290 . 28 LEU N N 125.94 . 1 291 . 29 HIS H H 8.65 . 1 292 . 29 HIS HA H 4.50 . 1 293 . 29 HIS HB2 H 2.69 . 2 294 . 29 HIS HB3 H 2.24 . 2 295 . 29 HIS HD1 H 6.29 . 3 296 . 29 HIS C C 173.75 . 1 297 . 29 HIS CA C 54.95 . 1 298 . 29 HIS CB C 33.53 . 1 299 . 29 HIS N N 123.84 . 1 300 . 30 VAL H H 8.96 . 1 301 . 30 VAL HA H 4.56 . 1 302 . 30 VAL HB H 2.03 . 1 303 . 30 VAL HG1 H 1.13 . 2 304 . 30 VAL HG2 H 0.90 . 2 305 . 30 VAL C C 176.84 . 1 306 . 30 VAL CA C 61.53 . 1 307 . 30 VAL CB C 31.17 . 1 308 . 30 VAL CG1 C 23.69 . 2 309 . 30 VAL CG2 C 21.47 . 2 310 . 30 VAL N N 126.65 . 1 311 . 31 LEU H H 8.39 . 1 312 . 31 LEU HA H 4.73 . 1 313 . 31 LEU HB2 H 1.74 . 2 314 . 31 LEU HG H 1.88 . 1 315 . 31 LEU HD1 H 0.70 . 2 316 . 31 LEU HD2 H 1.06 . 2 317 . 31 LEU C C 176.18 . 1 318 . 31 LEU CA C 53.06 . 1 319 . 31 LEU CB C 44.36 . 1 320 . 31 LEU CD1 C 25.91 . 2 321 . 31 LEU CD2 C 23.24 . 2 322 . 31 LEU N N 129.51 . 1 323 . 32 LEU H H 8.98 . 1 324 . 32 LEU HA H 4.51 . 1 325 . 32 LEU HB2 H 1.95 . 2 326 . 32 LEU HB3 H 1.73 . 2 327 . 32 LEU HG H 1.97 . 1 328 . 32 LEU HD1 H 1.11 . 2 329 . 32 LEU HD2 H 1.07 . 2 330 . 32 LEU C C 182.98 . 1 331 . 32 LEU CA C 55.19 . 1 332 . 32 LEU CB C 41.99 . 1 333 . 32 LEU CD1 C 26.11 . 2 334 . 32 LEU CD2 C 23.70 . 2 335 . 32 LEU N N 118.70 . 1 336 . 33 ASN H H 9.66 . 1 337 . 33 ASN HA H 3.95 . 1 338 . 33 ASN HB2 H 2.75 . 2 339 . 33 ASN HB3 H 2.35 . 2 340 . 33 ASN C C 172.74 . 1 341 . 33 ASN CA C 57.49 . 1 342 . 33 ASN CB C 41.76 . 1 343 . 33 ASN N N 120.90 . 1 344 . 34 ASP H H 8.24 . 1 345 . 34 ASP HA H 3.12 . 1 346 . 34 ASP HB2 H 2.51 . 2 347 . 34 ASP HB3 H 2.07 . 2 348 . 34 ASP C C 175.55 . 1 349 . 34 ASP CA C 52.36 . 1 350 . 34 ASP CB C 39.88 . 1 351 . 34 ASP N N 109.63 . 1 352 . 35 ASP H H 7.21 . 1 353 . 35 ASP HA H 4.52 . 1 354 . 35 ASP HB2 H 3.13 . 2 355 . 35 ASP HB3 H 2.78 . 2 356 . 35 ASP C C 175.76 . 1 357 . 35 ASP CA C 53.07 . 1 358 . 35 ASP CB C 39.88 . 1 359 . 35 ASP N N 118.53 . 1 360 . 36 ALA H H 8.57 . 1 361 . 36 ALA HA H 4.14 . 1 362 . 36 ALA HB H 1.42 . 1 363 . 36 ALA C C 178.99 . 1 364 . 36 ALA CA C 52.82 . 1 365 . 36 ALA CB C 19.88 . 1 366 . 36 ALA N N 128.74 . 1 367 . 37 GLU H H 8.46 . 1 368 . 37 GLU HA H 3.88 . 1 369 . 37 GLU HB2 H 2.10 . 2 370 . 37 GLU HB3 H 2.01 . 2 371 . 37 GLU HG2 H 2.29 . 2 372 . 37 GLU C C 178.12 . 1 373 . 37 GLU CA C 60.13 . 1 374 . 37 GLU CB C 30.00 . 1 375 . 37 GLU CG C 36.22 . 1 376 . 37 GLU N N 124.16 . 1 377 . 38 THR H H 9.53 . 1 378 . 38 THR HA H 3.84 . 1 379 . 38 THR HB H 4.05 . 1 380 . 38 THR HG2 H 0.95 . 1 381 . 38 THR CA C 68.13 . 1 382 . 38 THR CB C 63.90 . 1 383 . 38 THR CG2 C 22.68 . 1 384 . 38 THR N N 117.65 . 1 385 . 39 PRO HA H 4.03 . 1 386 . 39 PRO HB2 H 2.30 . 2 387 . 39 PRO HB3 H 1.99 . 2 388 . 39 PRO HG2 H 2.06 . 2 389 . 39 PRO HG3 H 1.96 . 2 390 . 39 PRO HD2 H 3.75 . 2 391 . 39 PRO HD3 H 3.70 . 2 392 . 39 PRO C C 177.87 . 1 393 . 39 PRO CA C 65.48 . 1 394 . 39 PRO CB C 30.04 . 1 395 . 39 PRO CG C 27.36 . 1 396 . 39 PRO CD C 49.98 . 1 397 . 40 THR H H 7.03 . 1 398 . 40 THR HA H 4.07 . 1 399 . 40 THR HB H 3.40 . 1 400 . 40 THR HG2 H 0.94 . 1 401 . 40 THR C C 176.99 . 1 402 . 40 THR CA C 67.49 . 1 403 . 40 THR CB C 67.50 . 1 404 . 40 THR CG2 C 20.68 . 1 405 . 40 THR N N 114.84 . 1 406 . 41 ARG H H 7.95 . 1 407 . 41 ARG HA H 3.92 . 1 408 . 41 ARG HB2 H 1.84 . 2 409 . 41 ARG HG2 H 1.65 . 2 410 . 41 ARG HD2 H 3.33 . 2 411 . 41 ARG HD3 H 3.15 . 2 412 . 41 ARG C C 177.06 . 1 413 . 41 ARG CA C 58.95 . 1 414 . 41 ARG CB C 29.75 . 1 415 . 41 ARG CG C 27.46 . 1 416 . 41 ARG CD C 43.39 . 1 417 . 41 ARG N N 122.57 . 1 418 . 42 MET H H 6.96 . 1 419 . 42 MET HA H 3.55 . 1 420 . 42 MET HB2 H 1.65 . 2 421 . 42 MET HB3 H 0.75 . 2 422 . 42 MET HG2 H 2.22 . 2 423 . 42 MET HE H 0.82 . 1 424 . 42 MET C C 176.74 . 1 425 . 42 MET CA C 59.41 . 1 426 . 42 MET CB C 34.24 . 1 427 . 42 MET CG C 31.89 . 1 428 . 42 MET CE C 17.25 . 1 429 . 42 MET N N 115.96 . 1 430 . 43 VAL H H 8.12 . 1 431 . 43 VAL HA H 4.70 . 1 432 . 43 VAL HB H 2.52 . 1 433 . 43 VAL HG1 H 0.66 . 2 434 . 43 VAL HG2 H 0.85 . 2 435 . 43 VAL C C 176.64 . 1 436 . 43 VAL CA C 60.11 . 1 437 . 43 VAL CB C 34.23 . 1 438 . 43 VAL CG1 C 22.47 . 2 439 . 43 VAL CG2 C 18.38 . 2 440 . 43 VAL N N 104.61 . 1 441 . 44 GLY H H 8.06 . 1 442 . 44 GLY HA2 H 4.38 . 2 443 . 44 GLY HA3 H 3.80 . 2 444 . 44 GLY C C 172.87 . 1 445 . 44 GLY CA C 46.00 . 1 446 . 44 GLY N N 111.10 . 1 447 . 45 GLN H H 7.30 . 1 448 . 45 GLN HA H 4.44 . 1 449 . 45 GLN HB2 H 2.19 . 2 450 . 45 GLN C C 172.81 . 1 451 . 45 GLN CA C 53.77 . 1 452 . 45 GLN CB C 31.42 . 1 453 . 45 GLN CG C 32.58 . 1 454 . 45 GLN N N 115.21 . 1 455 . 46 LYS H H 8.67 . 1 456 . 46 LYS HA H 3.95 . 1 457 . 46 LYS HB2 H 1.50 . 2 458 . 46 LYS C C 173.71 . 1 459 . 46 LYS CA C 56.36 . 1 460 . 46 LYS CB C 31.65 . 1 461 . 46 LYS N N 119.80 . 1 462 . 47 GLN H H 6.98 . 1 463 . 47 GLN HA H 4.65 . 1 464 . 47 GLN HB2 H 1.78 . 2 465 . 47 GLN HG2 H 1.94 . 2 466 . 47 GLN C C 171.51 . 1 467 . 47 GLN CA C 54.92 . 1 468 . 47 GLN CB C 31.65 . 1 469 . 47 GLN CG C 33.39 . 1 470 . 47 GLN N N 126.85 . 1 471 . 48 VAL H H 7.73 . 1 472 . 48 VAL HA H 4.06 . 1 473 . 48 VAL HB H 1.87 . 1 474 . 48 VAL HG1 H 0.02 . 2 475 . 48 VAL HG2 H 0.25 . 2 476 . 48 VAL CA C 58.73 . 1 477 . 48 VAL CB C 34.01 . 1 478 . 48 VAL CG1 C 19.48 . 2 479 . 48 VAL CG2 C 22.17 . 2 480 . 48 VAL N N 111.68 . 1 481 . 49 PRO HA H 5.22 . 1 482 . 49 PRO C C 175.80 . 1 483 . 49 PRO CA C 61.28 . 1 484 . 49 PRO CB C 35.96 . 1 485 . 50 ILE H H 8.02 . 1 486 . 50 ILE HA H 4.40 . 1 487 . 50 ILE HB H 1.67 . 1 488 . 50 ILE HG12 H 1.85 . 2 489 . 50 ILE HG2 H 0.84 . 1 490 . 50 ILE HD1 H 0.87 . 1 491 . 50 ILE C C 174.13 . 1 492 . 50 ILE CA C 61.07 . 1 493 . 50 ILE CB C 43.65 . 1 494 . 50 ILE CG2 C 19.54 . 1 495 . 50 ILE CD1 C 17.22 . 1 496 . 50 ILE N N 116.86 . 1 497 . 51 LEU H H 9.05 . 1 498 . 51 LEU HA H 5.38 . 1 499 . 51 LEU HB2 H 2.13 . 2 500 . 51 LEU HB3 H 1.36 . 2 501 . 51 LEU HG H 1.34 . 1 502 . 51 LEU HD1 H 1.13 . 2 503 . 51 LEU HD2 H 1.20 . 2 504 . 51 LEU C C 175.56 . 1 505 . 51 LEU CA C 53.05 . 1 506 . 51 LEU CB C 46.23 . 1 507 . 51 LEU CD1 C 27.65 . 2 508 . 51 LEU CD2 C 24.96 . 2 509 . 51 LEU N N 129.39 . 1 510 . 52 GLN H H 10.04 . 1 511 . 52 GLN HA H 4.81 . 1 512 . 52 GLN HB2 H 1.38 . 2 513 . 52 GLN C C 175.72 . 1 514 . 52 GLN CA C 54.96 . 1 515 . 52 GLN CB C 30.45 . 1 516 . 52 GLN CG C 33.48 . 1 517 . 52 GLN N N 128.51 . 1 518 . 53 LYS H H 8.68 . 1 519 . 53 LYS HA H 4.75 . 1 520 . 53 LYS C C 177.86 . 1 521 . 53 LYS CA C 57.06 . 1 522 . 53 LYS CB C 34.00 . 1 523 . 53 LYS N N 125.72 . 1 524 . 54 ASP H H 9.01 . 1 525 . 54 ASP HA H 4.67 . 1 526 . 54 ASP HB2 H 2.83 . 2 527 . 54 ASP HB3 H 2.60 . 2 528 . 54 ASP C C 176.19 . 1 529 . 54 ASP CA C 57.07 . 1 530 . 54 ASP CB C 39.83 . 1 531 . 54 ASP N N 120.96 . 1 532 . 55 ASP H H 7.58 . 1 533 . 55 ASP HA H 4.54 . 1 534 . 55 ASP HB2 H 3.04 . 2 535 . 55 ASP HB3 H 2.53 . 2 536 . 55 ASP C C 176.83 . 1 537 . 55 ASP CA C 53.53 . 1 538 . 55 ASP CB C 39.65 . 1 539 . 55 ASP N N 118.37 . 1 540 . 56 SER H H 7.89 . 1 541 . 56 SER HA H 4.33 . 1 542 . 56 SER HB2 H 4.01 . 2 543 . 56 SER HB3 H 3.79 . 2 544 . 56 SER C C 173.55 . 1 545 . 56 SER CA C 61.30 . 1 546 . 56 SER CB C 62.49 . 1 547 . 56 SER N N 110.38 . 1 548 . 57 ARG H H 8.14 . 1 549 . 57 ARG HA H 4.13 . 1 550 . 57 ARG HB2 H 1.88 . 2 551 . 57 ARG HG2 H 1.52 . 2 552 . 57 ARG HD2 H 3.15 . 2 553 . 57 ARG C C 174.90 . 1 554 . 57 ARG CA C 56.11 . 1 555 . 57 ARG CB C 30.24 . 1 556 . 57 ARG CG C 27.90 . 1 557 . 57 ARG CD C 43.05 . 1 558 . 57 ARG N N 122.54 . 1 559 . 58 TYR H H 8.59 . 1 560 . 58 TYR HA H 5.57 . 1 561 . 58 TYR HB2 H 2.65 . 2 562 . 58 TYR HB3 H 2.52 . 2 563 . 58 TYR HD1 H 7.02 . 3 564 . 58 TYR HE1 H 6.75 . 3 565 . 58 TYR C C 176.91 . 1 566 . 58 TYR CA C 57.06 . 1 567 . 58 TYR CB C 41.77 . 1 568 . 58 TYR N N 117.74 . 1 569 . 59 MET H H 9.58 . 1 570 . 59 MET HA H 5.11 . 1 571 . 59 MET HB2 H 1.92 . 2 572 . 59 MET HG2 H 2.51 . 2 573 . 59 MET HE H 1.75 . 1 574 . 59 MET CA C 52.83 . 1 575 . 59 MET CB C 37.53 . 1 576 . 59 MET CG C 32.64 . 1 577 . 59 MET CE C 16.64 . 1 578 . 59 MET N N 121.25 . 1 579 . 63 MET H H 8.87 . 1 580 . 63 MET HA H 4.62 . 1 581 . 63 MET HB2 H 1.70 . 2 582 . 63 MET HG2 H 1.86 . 2 583 . 63 MET HE H 1.91 . 1 584 . 63 MET C C 178.97 . 1 585 . 63 MET CA C 55.75 . 1 586 . 63 MET CB C 28.36 . 1 587 . 63 MET CG C 31.92 . 1 588 . 63 MET CE C 16.09 . 1 589 . 63 MET N N 117.33 . 1 590 . 64 ASP H H 7.25 . 1 591 . 64 ASP HA H 4.58 . 1 592 . 64 ASP HB2 H 1.58 . 2 593 . 64 ASP C C 179.77 . 1 594 . 64 ASP CA C 57.30 . 1 595 . 64 ASP CB C 38.93 . 1 596 . 64 ASP N N 121.27 . 1 597 . 65 ILE H H 8.31 . 1 598 . 65 ILE HA H 3.71 . 1 599 . 65 ILE HB H 2.11 . 1 600 . 65 ILE HG12 H 1.75 . 2 601 . 65 ILE HG13 H 0.85 . 2 602 . 65 ILE HG2 H 1.04 . 1 603 . 65 ILE HD1 H 0.72 . 1 604 . 65 ILE C C 177.01 . 1 605 . 65 ILE CA C 66.25 . 1 606 . 65 ILE CB C 38.47 . 1 607 . 65 ILE CG2 C 17.28 . 1 608 . 65 ILE CD1 C 14.21 . 1 609 . 65 ILE N N 122.91 . 1 610 . 66 VAL H H 8.44 . 1 611 . 66 VAL HA H 3.51 . 1 612 . 66 VAL HB H 2.04 . 1 613 . 66 VAL HG1 H 1.01 . 2 614 . 66 VAL HG2 H 0.61 . 2 615 . 66 VAL C C 177.52 . 1 616 . 66 VAL CA C 66.96 . 1 617 . 66 VAL CB C 31.41 . 1 618 . 66 VAL CG1 C 23.70 . 2 619 . 66 VAL CG2 C 21.87 . 2 620 . 66 VAL N N 118.90 . 1 621 . 67 HIS H H 8.18 . 1 622 . 67 HIS HA H 4.48 . 1 623 . 67 HIS HB2 H 3.94 . 2 624 . 67 HIS HD1 H 7.26 . 4 625 . 67 HIS C C 177.26 . 1 626 . 67 HIS CA C 58.96 . 1 627 . 67 HIS CB C 29.99 . 1 628 . 67 HIS N N 115.50 . 1 629 . 68 TYR H H 8.26 . 1 630 . 68 TYR HA H 4.18 . 1 631 . 68 TYR HB2 H 1.87 . 2 632 . 68 TYR HD1 H 7.09 . 3 633 . 68 TYR HE1 H 7.04 . 3 634 . 68 TYR C C 177.54 . 1 635 . 68 TYR CA C 61.05 . 1 636 . 68 TYR CB C 39.16 . 1 637 . 68 TYR N N 120.52 . 1 638 . 69 VAL H H 8.57 . 1 639 . 69 VAL HA H 3.08 . 1 640 . 69 VAL HB H 1.68 . 1 641 . 69 VAL HG1 H 0.81 . 2 642 . 69 VAL HG2 H 0.06 . 2 643 . 69 VAL C C 178.14 . 1 644 . 69 VAL CA C 65.77 . 1 645 . 69 VAL CB C 30.94 . 1 646 . 69 VAL CG1 C 24.39 . 2 647 . 69 VAL CG2 C 21.95 . 2 648 . 69 VAL N N 119.27 . 1 649 . 70 ASP H H 8.37 . 1 650 . 70 ASP HA H 4.35 . 1 651 . 70 ASP HB2 H 2.75 . 2 652 . 70 ASP HB3 H 2.62 . 2 653 . 70 ASP C C 177.47 . 1 654 . 70 ASP CA C 56.61 . 1 655 . 70 ASP CB C 40.59 . 1 656 . 70 ASP N N 116.57 . 1 657 . 71 LYS H H 6.93 . 1 658 . 71 LYS HA H 4.06 . 1 659 . 71 LYS HB2 H 1.90 . 2 660 . 71 LYS HB3 H 1.76 . 2 661 . 71 LYS HG2 H 1.66 . 2 662 . 71 LYS HG3 H 1.38 . 2 663 . 71 LYS HD2 H 1.67 . 1 664 . 71 LYS HE2 H 2.97 . 2 665 . 71 LYS C C 179.68 . 1 666 . 71 LYS CA C 56.58 . 1 667 . 71 LYS CB C 33.29 . 1 668 . 71 LYS CG C 26.17 . 1 669 . 71 LYS CD C 29.39 . 1 670 . 71 LYS CE C 42.02 . 1 671 . 71 LYS N N 108.95 . 1 672 . 72 LEU H H 7.45 . 1 673 . 72 LEU HA H 3.77 . 1 674 . 72 LEU HB2 H 1.59 . 2 675 . 72 LEU HB3 H 1.46 . 2 676 . 72 LEU HG H 1.53 . 1 677 . 72 LEU HD1 H 0.75 . 2 678 . 72 LEU HD2 H 0.72 . 2 679 . 72 LEU C C 177.77 . 1 680 . 72 LEU CA C 58.48 . 1 681 . 72 LEU CB C 42.93 . 1 682 . 72 LEU CG C 26.25 . 1 683 . 72 LEU CD1 C 24.35 . 2 684 . 72 LEU CD2 C 24.50 . 2 685 . 72 LEU N N 123.80 . 1 686 . 73 ASP H H 7.47 . 1 687 . 73 ASP HA H 4.61 . 1 688 . 73 ASP HB2 H 3.06 . 2 689 . 73 ASP HB3 H 2.48 . 2 690 . 73 ASP C C 177.25 . 1 691 . 73 ASP CA C 52.12 . 1 692 . 73 ASP CB C 40.12 . 1 693 . 73 ASP N N 113.35 . 1 694 . 74 GLY H H 7.94 . 1 695 . 74 GLY HA2 H 4.09 . 2 696 . 74 GLY HA3 H 3.76 . 2 697 . 74 GLY C C 173.67 . 1 698 . 74 GLY CA C 45.52 . 1 699 . 74 GLY N N 106.62 . 1 700 . 75 LYS H H 7.83 . 1 701 . 75 LYS HA H 4.71 . 1 702 . 75 LYS HB2 H 1.68 . 2 703 . 75 LYS HB3 H 1.49 . 2 704 . 75 LYS CA C 53.06 . 1 705 . 75 LYS CB C 32.83 . 1 706 . 75 LYS N N 120.69 . 1 707 . 76 PRO HA H 4.39 . 1 708 . 76 PRO HB2 H 1.59 . 2 709 . 76 PRO HG2 H 1.93 . 2 710 . 76 PRO HG3 H 1.72 . 2 711 . 76 PRO HD2 H 3.57 . 2 712 . 76 PRO HD3 H 3.22 . 2 713 . 76 PRO C C 177.44 . 1 714 . 76 PRO CA C 62.94 . 1 715 . 76 PRO CB C 32.41 . 1 716 . 76 PRO CG C 27.79 . 1 717 . 76 PRO CD C 49.84 . 1 718 . 77 LEU H H 11.75 . 1 719 . 77 LEU HA H 4.56 . 1 720 . 77 LEU HB2 H 1.66 . 2 721 . 77 LEU HB3 H 1.59 . 2 722 . 77 LEU HG H 1.59 . 1 723 . 77 LEU HD1 H 0.86 . 2 724 . 77 LEU HD2 H 0.79 . 2 725 . 77 LEU C C 180.12 . 1 726 . 77 LEU CA C 54.48 . 1 727 . 77 LEU CB C 44.11 . 1 728 . 77 LEU CD1 C 23.35 . 2 729 . 77 LEU CD2 C 26.26 . 2 730 . 77 LEU N N 123.98 . 1 731 . 78 LEU H H 9.28 . 1 732 . 78 LEU HA H 4.36 . 1 733 . 78 LEU HB2 H 2.11 . 1 734 . 78 LEU HG H 1.56 . 1 735 . 78 LEU HD1 H 0.48 . 1 736 . 78 LEU HD2 H 0.68 . 1 737 . 78 LEU C C 177.80 . 1 738 . 78 LEU CA C 53.29 . 1 739 . 78 LEU CB C 38.72 . 1 740 . 78 LEU CD1 C 22.14 . 1 741 . 78 LEU CD2 C 26.88 . 1 742 . 78 LEU N N 122.21 . 1 743 . 79 THR H H 8.17 . 1 744 . 79 THR HA H 4.37 . 1 745 . 79 THR HB H 4.24 . 1 746 . 79 THR HG2 H 1.22 . 1 747 . 79 THR C C 176.17 . 1 748 . 79 THR CA C 61.31 . 1 749 . 79 THR CB C 69.53 . 1 750 . 79 THR CG2 C 21.69 . 1 751 . 79 THR N N 112.12 . 1 752 . 80 GLY H H 8.81 . 1 753 . 80 GLY HA2 H 4.07 . 2 754 . 80 GLY HA3 H 3.47 . 2 755 . 80 GLY C C 173.05 . 1 756 . 80 GLY CA C 44.58 . 1 757 . 80 GLY N N 110.87 . 1 758 . 81 LYS H H 8.43 . 1 759 . 81 LYS HA H 4.29 . 1 760 . 81 LYS HB2 H 1.83 . 2 761 . 81 LYS HG2 H 1.55 . 2 762 . 81 LYS HG3 H 1.39 . 2 763 . 81 LYS HD2 H 1.97 . 2 764 . 81 LYS HD3 H 1.74 . 2 765 . 81 LYS HE2 H 3.05 . 2 766 . 81 LYS C C 175.94 . 1 767 . 81 LYS CA C 56.35 . 1 768 . 81 LYS CB C 33.03 . 1 769 . 81 LYS CG C 24.66 . 1 770 . 81 LYS CD C 29.15 . 1 771 . 81 LYS CE C 42.10 . 1 772 . 81 LYS N N 121.08 . 1 773 . 82 ARG H H 8.30 . 1 774 . 82 ARG HA H 4.23 . 1 775 . 82 ARG HB2 H 1.61 . 2 776 . 82 ARG HG2 H 1.59 . 2 777 . 82 ARG HG3 H 1.35 . 2 778 . 82 ARG HD2 H 3.75 . 2 779 . 82 ARG C C 176.62 . 1 780 . 82 ARG CA C 55.65 . 1 781 . 82 ARG CB C 31.64 . 1 782 . 82 ARG CD C 43.42 . 1 783 . 82 ARG N N 118.97 . 1 784 . 83 SER H H 10.25 . 1 785 . 83 SER HA H 5.28 . 1 786 . 83 SER HB2 H 3.88 . 2 787 . 83 SER CA C 53.29 . 1 788 . 83 SER CB C 64.83 . 1 789 . 83 SER N N 117.86 . 1 790 . 84 PRO HA H 4.51 . 1 791 . 84 PRO HB2 H 2.48 . 2 792 . 84 PRO HB3 H 2.04 . 2 793 . 84 PRO HG2 H 2.24 . 2 794 . 84 PRO HG3 H 2.11 . 2 795 . 84 PRO HD2 H 4.08 . 2 796 . 84 PRO C C 178.13 . 1 797 . 84 PRO CA C 65.05 . 1 798 . 84 PRO CB C 32.34 . 1 799 . 84 PRO CG C 27.46 . 1 800 . 84 PRO CD C 51.85 . 1 801 . 85 ALA H H 7.76 . 1 802 . 85 ALA HA H 4.26 . 1 803 . 85 ALA HB H 1.45 . 1 804 . 85 ALA C C 181.25 . 1 805 . 85 ALA CA C 54.93 . 1 806 . 85 ALA CB C 18.70 . 1 807 . 85 ALA N N 120.44 . 1 808 . 86 ILE H H 7.65 . 1 809 . 86 ILE HA H 3.87 . 1 810 . 86 ILE HB H 2.39 . 1 811 . 86 ILE HG12 H 1.59 . 2 812 . 86 ILE HG13 H 1.52 . 2 813 . 86 ILE HG2 H 0.86 . 1 814 . 86 ILE HD1 H 0.46 . 1 815 . 86 ILE C C 177.49 . 1 816 . 86 ILE CA C 61.75 . 1 817 . 86 ILE CB C 35.18 . 1 818 . 86 ILE CG2 C 16.97 . 1 819 . 86 ILE CD1 C 9.96 . 1 820 . 86 ILE N N 120.83 . 1 821 . 87 GLU H H 7.55 . 1 822 . 87 GLU HA H 3.98 . 1 823 . 87 GLU HB2 H 2.38 . 2 824 . 87 GLU HB3 H 2.20 . 2 825 . 87 GLU HG2 H 2.21 . 2 826 . 87 GLU C C 179.38 . 1 827 . 87 GLU CA C 60.36 . 1 828 . 87 GLU CB C 29.06 . 1 829 . 87 GLU CG C 35.97 . 1 830 . 87 GLU N N 121.04 . 1 831 . 88 GLU H H 8.11 . 1 832 . 88 GLU HA H 4.04 . 1 833 . 88 GLU HB2 H 2.12 . 2 834 . 88 GLU HG2 H 2.37 . 2 835 . 88 GLU C C 178.09 . 1 836 . 88 GLU CA C 59.19 . 1 837 . 88 GLU CB C 29.53 . 1 838 . 88 GLU CG C 35.93 . 1 839 . 88 GLU N N 118.55 . 1 840 . 89 TRP H H 8.11 . 1 841 . 89 TRP HA H 4.01 . 1 842 . 89 TRP HB2 H 3.46 . 2 843 . 89 TRP HB3 H 3.27 . 2 844 . 89 TRP HD1 H 7.33 . 1 845 . 89 TRP HE1 H 10.16 . 1 846 . 89 TRP CA C 63.17 . 1 847 . 89 TRP CB C 29.31 . 1 848 . 89 TRP N N 123.44 . 1 849 . 89 TRP NE1 N 128.28 . 1 850 . 90 LEU H H 8.87 . 1 851 . 90 LEU HA H 3.81 . 1 852 . 90 LEU HB2 H 2.07 . 2 853 . 90 LEU HB3 H 1.45 . 2 854 . 90 LEU HG H 2.07 . 1 855 . 90 LEU HD1 H 0.90 . 2 856 . 90 LEU HD2 H 1.17 . 2 857 . 90 LEU C C 178.76 . 1 858 . 90 LEU CA C 57.89 . 1 859 . 90 LEU CB C 42.24 . 1 860 . 90 LEU CD1 C 26.85 . 2 861 . 90 LEU CD2 C 24.11 . 2 862 . 90 LEU N N 117.71 . 1 863 . 91 ARG H H 8.11 . 1 864 . 91 ARG HA H 3.90 . 1 865 . 91 ARG HB2 H 1.92 . 2 866 . 91 ARG HG2 H 1.76 . 2 867 . 91 ARG HG3 H 1.56 . 2 868 . 91 ARG HD2 H 3.25 . 2 869 . 91 ARG C C 179.44 . 1 870 . 91 ARG CA C 59.65 . 1 871 . 91 ARG CB C 30.00 . 1 872 . 91 ARG CG C 27.46 . 1 873 . 91 ARG CD C 43.36 . 1 874 . 91 ARG N N 119.47 . 1 875 . 92 LYS H H 7.63 . 1 876 . 92 LYS HA H 4.15 . 1 877 . 92 LYS HB2 H 2.07 . 2 878 . 92 LYS HG2 H 1.39 . 2 879 . 92 LYS C C 180.09 . 1 880 . 92 LYS CA C 59.64 . 1 881 . 92 LYS CB C 32.36 . 1 882 . 92 LYS CG C 25.07 . 1 883 . 92 LYS N N 119.47 . 1 884 . 93 VAL H H 8.16 . 1 885 . 93 VAL HA H 3.30 . 1 886 . 93 VAL HB H 0.93 . 1 887 . 93 VAL HG1 H 0.28 . 2 888 . 93 VAL HG2 H -0.28 . 2 889 . 93 VAL C C 178.88 . 1 890 . 93 VAL CA C 65.99 . 1 891 . 93 VAL CB C 31.88 . 1 892 . 93 VAL CG1 C 22.16 . 2 893 . 93 VAL CG2 C 20.79 . 2 894 . 93 VAL N N 119.89 . 1 895 . 94 ASN H H 9.02 . 1 896 . 94 ASN HA H 4.47 . 1 897 . 94 ASN HB2 H 2.95 . 2 898 . 94 ASN HB3 H 2.67 . 2 899 . 94 ASN C C 177.53 . 1 900 . 94 ASN CA C 55.42 . 1 901 . 94 ASN CB C 37.53 . 1 902 . 94 ASN N N 118.71 . 1 903 . 95 GLY H H 7.50 . 1 904 . 95 GLY HA2 H 4.14 . 2 905 . 95 GLY HA3 H 3.96 . 2 906 . 95 GLY C C 174.19 . 1 907 . 95 GLY CA C 46.48 . 1 908 . 95 GLY N N 106.63 . 1 909 . 96 TYR H H 7.39 . 1 910 . 96 TYR HA H 5.10 . 1 911 . 96 TYR HB2 H 3.20 . 2 912 . 96 TYR HB3 H 2.78 . 2 913 . 96 TYR HD1 H 6.92 . 3 914 . 96 TYR HE1 H 6.54 . 3 915 . 96 TYR C C 176.53 . 1 916 . 96 TYR CA C 57.77 . 1 917 . 96 TYR CB C 40.35 . 1 918 . 96 TYR N N 113.94 . 1 919 . 97 ALA H H 8.32 . 1 920 . 97 ALA HA H 3.63 . 1 921 . 97 ALA HB H 1.15 . 1 922 . 97 ALA C C 179.66 . 1 923 . 97 ALA CA C 56.34 . 1 924 . 97 ALA CB C 17.53 . 1 925 . 97 ALA N N 125.31 . 1 926 . 98 ASN H H 9.15 . 1 927 . 98 ASN HA H 4.63 . 1 928 . 98 ASN HB2 H 3.03 . 2 929 . 98 ASN HB3 H 2.73 . 2 930 . 98 ASN C C 177.65 . 1 931 . 98 ASN CA C 55.66 . 1 932 . 98 ASN CB C 37.28 . 1 933 . 98 ASN N N 116.61 . 1 934 . 99 LYS H H 8.12 . 1 935 . 99 LYS HA H 3.95 . 1 936 . 99 LYS HB2 H 2.13 . 2 937 . 99 LYS C C 178.18 . 1 938 . 99 LYS CA C 59.86 . 1 939 . 99 LYS CB C 33.77 . 1 940 . 99 LYS N N 118.89 . 1 941 . 100 LEU H H 7.08 . 1 942 . 100 LEU HA H 4.29 . 1 943 . 100 LEU HB2 H 1.82 . 2 944 . 100 LEU HB3 H 1.47 . 2 945 . 100 LEU HG H 1.67 . 1 946 . 100 LEU HD1 H 1.02 . 2 947 . 100 LEU HD2 H 0.88 . 2 948 . 100 LEU C C 179.86 . 1 949 . 100 LEU CA C 55.19 . 1 950 . 100 LEU CB C 44.58 . 1 951 . 100 LEU CD1 C 24.64 . 2 952 . 100 LEU CD2 C 25.78 . 2 953 . 100 LEU N N 112.24 . 1 954 . 101 LEU H H 7.87 . 1 955 . 101 LEU HA H 3.45 . 1 956 . 101 LEU HB2 H 1.54 . 2 957 . 101 LEU HB3 H 0.60 . 2 958 . 101 LEU HG H 1.50 . 1 959 . 101 LEU HD1 H 0.54 . 2 960 . 101 LEU HD2 H 0.92 . 2 961 . 101 LEU C C 177.08 . 1 962 . 101 LEU CA C 57.53 . 1 963 . 101 LEU CB C 42.46 . 1 964 . 101 LEU CD1 C 23.25 . 2 965 . 101 LEU CD2 C 25.72 . 2 966 . 101 LEU N N 117.58 . 1 967 . 102 LEU H H 8.42 . 1 968 . 102 LEU HA H 4.23 . 1 969 . 102 LEU HB2 H 1.60 . 2 970 . 102 LEU HG H 1.55 . 1 971 . 102 LEU HD1 H 0.88 . 2 972 . 102 LEU HD2 H 0.98 . 2 973 . 102 LEU CA C 60.37 . 1 974 . 102 LEU CB C 38.94 . 1 975 . 102 LEU CD1 C 22.08 . 2 976 . 102 LEU CD2 C 26.53 . 2 977 . 102 LEU N N 117.36 . 1 978 . 103 PRO HA H 3.25 . 1 979 . 103 PRO HB2 H 1.75 . 2 980 . 103 PRO HB3 H 1.38 . 2 981 . 103 PRO C C 178.43 . 1 982 . 103 PRO CA C 64.59 . 1 983 . 103 PRO CB C 31.18 . 1 984 . 103 PRO CG C 28.32 . 1 985 . 104 ARG H H 6.23 . 1 986 . 104 ARG HA H 4.06 . 1 987 . 104 ARG HB2 H 2.39 . 2 988 . 104 ARG HB3 H 2.15 . 2 989 . 104 ARG C C 180.38 . 1 990 . 104 ARG CA C 58.71 . 1 991 . 104 ARG CB C 29.75 . 1 992 . 104 ARG N N 113.75 . 1 993 . 105 PHE H H 9.51 . 1 994 . 105 PHE HA H 4.59 . 1 995 . 105 PHE HD1 H 7.10 . 3 996 . 105 PHE C C 177.77 . 1 997 . 105 PHE CA C 58.47 . 1 998 . 105 PHE CB C 37.06 . 1 999 . 105 PHE N N 124.90 . 1 1000 . 106 ALA H H 7.47 . 1 1001 . 106 ALA HA H 3.47 . 1 1002 . 106 ALA HB H 1.64 . 1 1003 . 106 ALA C C 178.49 . 1 1004 . 106 ALA CA C 54.23 . 1 1005 . 106 ALA CB C 19.88 . 1 1006 . 106 ALA N N 113.78 . 1 1007 . 107 LYS H H 7.02 . 1 1008 . 107 LYS HA H 4.63 . 1 1009 . 107 LYS HB2 H 2.11 . 2 1010 . 107 LYS HB3 H 1.69 . 2 1011 . 107 LYS HD2 H 1.68 . 2 1012 . 107 LYS HE2 H 3.01 . 2 1013 . 107 LYS C C 176.90 . 1 1014 . 107 LYS CA C 55.42 . 1 1015 . 107 LYS CB C 34.01 . 1 1016 . 107 LYS CG C 24.47 . 1 1017 . 107 LYS CD C 29.20 . 1 1018 . 107 LYS CE C 41.54 . 1 1019 . 107 LYS N N 116.21 . 1 1020 . 108 SER H H 7.60 . 1 1021 . 108 SER HA H 4.76 . 1 1022 . 108 SER HB2 H 4.05 . 2 1023 . 108 SER HB3 H 3.43 . 2 1024 . 108 SER C C 174.66 . 1 1025 . 108 SER CA C 59.66 . 1 1026 . 108 SER CB C 65.77 . 1 1027 . 108 SER N N 114.82 . 1 1028 . 109 ALA H H 8.74 . 1 1029 . 109 ALA HA H 4.55 . 1 1030 . 109 ALA HB H 1.22 . 1 1031 . 109 ALA C C 175.94 . 1 1032 . 109 ALA CA C 52.11 . 1 1033 . 109 ALA CB C 16.58 . 1 1034 . 109 ALA N N 130.00 . 1 1035 . 110 PHE H H 7.23 . 1 1036 . 110 PHE HA H 4.89 . 1 1037 . 110 PHE HB2 H 2.21 . 2 1038 . 110 PHE HD1 H 7.33 . 3 1039 . 110 PHE HE1 H 7.22 . 3 1040 . 110 PHE C C 179.48 . 1 1041 . 110 PHE CA C 56.37 . 1 1042 . 110 PHE CB C 40.59 . 1 1043 . 110 PHE N N 120.16 . 1 1044 . 111 ASP H H 9.98 . 1 1045 . 111 ASP HA H 4.39 . 1 1046 . 111 ASP HB2 H 2.56 . 2 1047 . 111 ASP C C 178.81 . 1 1048 . 111 ASP CA C 58.24 . 1 1049 . 111 ASP CB C 40.11 . 1 1050 . 111 ASP N N 127.27 . 1 1051 . 112 GLU H H 10.01 . 1 1052 . 112 GLU HA H 4.56 . 1 1053 . 112 GLU HG2 H 2.68 . 2 1054 . 112 GLU C C 176.20 . 1 1055 . 112 GLU CA C 58.24 . 1 1056 . 112 GLU CB C 29.52 . 1 1057 . 112 GLU CG C 34.03 . 1 1058 . 112 GLU N N 119.21 . 1 1059 . 113 PHE H H 7.84 . 1 1060 . 113 PHE HA H 5.24 . 1 1061 . 113 PHE HB2 H 3.50 . 2 1062 . 113 PHE HB3 H 2.96 . 2 1063 . 113 PHE HD1 H 7.02 . 3 1064 . 113 PHE HE1 H 6.73 . 3 1065 . 113 PHE C C 175.64 . 1 1066 . 113 PHE CA C 52.89 . 1 1067 . 113 PHE CB C 39.17 . 1 1068 . 113 PHE N N 120.17 . 1 1069 . 114 SER H H 7.42 . 1 1070 . 114 SER HA H 4.26 . 1 1071 . 114 SER HB2 H 4.23 . 2 1072 . 114 SER HB3 H 4.03 . 2 1073 . 114 SER C C 175.19 . 1 1074 . 114 SER CA C 61.54 . 1 1075 . 114 SER CB C 63.64 . 1 1076 . 114 SER N N 111.76 . 1 1077 . 115 THR H H 7.06 . 1 1078 . 115 THR HA H 5.05 . 1 1079 . 115 THR HB H 4.70 . 2 1080 . 115 THR HG2 H 1.32 . 1 1081 . 115 THR CA C 57.77 . 1 1082 . 115 THR CB C 69.06 . 1 1083 . 115 THR CG2 C 22.82 . 1 1084 . 115 THR N N 109.06 . 1 1085 . 116 PRO HA H 4.39 . 1 1086 . 116 PRO HB2 H 2.04 . 2 1087 . 116 PRO HG2 H 2.28 . 2 1088 . 116 PRO HG3 H 2.24 . 2 1089 . 116 PRO HD2 H 4.04 . 2 1090 . 116 PRO C C 179.99 . 1 1091 . 116 PRO CA C 65.29 . 1 1092 . 116 PRO CB C 31.87 . 1 1093 . 116 PRO CG C 27.84 . 1 1094 . 116 PRO CD C 50.37 . 1 1095 . 117 ALA H H 8.27 . 1 1096 . 117 ALA HA H 4.18 . 1 1097 . 117 ALA HB H 1.49 . 1 1098 . 117 ALA C C 180.02 . 1 1099 . 117 ALA CA C 55.17 . 1 1100 . 117 ALA CB C 18.70 . 1 1101 . 117 ALA N N 118.39 . 1 1102 . 118 ALA H H 8.25 . 1 1103 . 118 ALA HA H 4.01 . 1 1104 . 118 ALA HB H 1.82 . 1 1105 . 118 ALA C C 179.06 . 1 1106 . 118 ALA CA C 55.88 . 1 1107 . 118 ALA CB C 20.57 . 1 1108 . 118 ALA N N 123.50 . 1 1109 . 119 ARG H H 7.80 . 1 1110 . 119 ARG HA H 3.76 . 1 1111 . 119 ARG C C 177.38 . 1 1112 . 119 ARG CA C 60.24 . 1 1113 . 119 ARG CB C 30.47 . 1 1114 . 119 ARG CG C 30.98 . 1 1115 . 119 ARG N N 117.46 . 1 1116 . 120 LYS H H 8.18 . 1 1117 . 120 LYS HA H 3.96 . 1 1118 . 120 LYS HB2 H 1.89 . 2 1119 . 120 LYS C C 177.11 . 1 1120 . 120 LYS CA C 59.40 . 1 1121 . 120 LYS CB C 33.05 . 1 1122 . 120 LYS CG C 25.10 . 1 1123 . 120 LYS CD C 29.20 . 1 1124 . 120 LYS CE C 42.31 . 1 1125 . 120 LYS N N 117.55 . 1 1126 . 121 TYR H H 8.20 . 1 1127 . 121 TYR HA H 4.16 . 1 1128 . 121 TYR HB2 H 2.78 . 2 1129 . 121 TYR C C 176.80 . 1 1130 . 121 TYR CA C 61.76 . 1 1131 . 121 TYR CB C 39.41 . 1 1132 . 121 TYR N N 119.41 . 1 1133 . 122 PHE H H 7.60 . 1 1134 . 122 PHE HA H 4.12 . 1 1135 . 122 PHE HB2 H 3.00 . 2 1136 . 122 PHE C C 176.79 . 1 1137 . 122 PHE CA C 61.77 . 1 1138 . 122 PHE CB C 39.64 . 1 1139 . 122 PHE N N 119.49 . 1 1140 . 123 VAL H H 8.07 . 1 1141 . 123 VAL HA H 3.18 . 1 1142 . 123 VAL HB H 2.08 . 1 1143 . 123 VAL HG1 H 1.23 . 2 1144 . 123 VAL HG2 H 0.68 . 2 1145 . 123 VAL C C 177.47 . 1 1146 . 123 VAL CA C 67.18 . 1 1147 . 123 VAL CB C 31.66 . 1 1148 . 123 VAL CG1 C 23.47 . 2 1149 . 123 VAL CG2 C 21.43 . 2 1150 . 123 VAL N N 118.90 . 1 1151 . 124 ASP H H 8.87 . 1 1152 . 124 ASP HA H 4.22 . 1 1153 . 124 ASP HB2 H 2.44 . 2 1154 . 124 ASP CA C 57.06 . 1 1155 . 124 ASP CB C 39.66 . 1 1156 . 124 ASP N N 117.91 . 1 1157 . 125 LYS H H 8.03 . 1 1158 . 125 LYS CA C 57.63 . 1 1159 . 125 LYS N N 118.38 . 1 1160 . 128 ALA HA H 4.03 . 1 1161 . 128 ALA HB H 1.41 . 1 1162 . 128 ALA C C 178.36 . 1 1163 . 128 ALA CA C 54.70 . 1 1164 . 128 ALA CB C 18.24 . 1 1165 . 129 SER H H 7.21 . 1 1166 . 129 SER HA H 4.52 . 1 1167 . 129 SER C C 175.11 . 1 1168 . 129 SER CA C 58.82 . 1 1169 . 129 SER N N 108.64 . 1 1170 . 130 ALA H H 8.60 . 1 1171 . 130 ALA HA H 4.46 . 1 1172 . 130 ALA CA C 53.08 . 1 1173 . 130 ALA CB C 20.35 . 1 1174 . 130 ALA N N 123.66 . 1 1175 . 133 PHE C C 178.15 . 1 1176 . 133 PHE CA C 57.75 . 1 1177 . 133 PHE CB C 36.32 . 1 1178 . 134 ALA H H 8.56 . 1 1179 . 134 ALA HA H 4.15 . 1 1180 . 134 ALA HB H 1.52 . 1 1181 . 134 ALA C C 181.41 . 1 1182 . 134 ALA CA C 55.64 . 1 1183 . 134 ALA CB C 17.52 . 1 1184 . 134 ALA N N 123.52 . 1 1185 . 135 ASP H H 8.18 . 1 1186 . 135 ASP HA H 5.17 . 1 1187 . 135 ASP HB2 H 3.32 . 2 1188 . 135 ASP CA C 57.29 . 1 1189 . 135 ASP CB C 41.06 . 1 1190 . 135 ASP N N 120.20 . 1 1191 . 136 LEU HA H 4.10 . 1 1192 . 136 LEU HB2 H 2.65 . 2 1193 . 136 LEU HG H 2.05 . 1 1194 . 136 LEU HD1 H 0.98 . 2 1195 . 136 LEU HD2 H 0.96 . 2 1196 . 136 LEU C C 181.82 . 1 1197 . 136 LEU CA C 58.24 . 1 1198 . 136 LEU CB C 41.72 . 1 1199 . 136 LEU CD1 C 22.44 . 2 1200 . 136 LEU CD2 C 25.38 . 2 1201 . 137 LEU H H 8.55 . 1 1202 . 137 LEU HA H 4.07 . 1 1203 . 137 LEU HB2 H 1.88 . 2 1204 . 137 LEU HB3 H 1.55 . 2 1205 . 137 LEU HG H 1.68 . 1 1206 . 137 LEU HD1 H 0.79 . 2 1207 . 137 LEU HD2 H 0.82 . 2 1208 . 137 LEU C C 181.28 . 1 1209 . 137 LEU CA C 57.78 . 1 1210 . 137 LEU CB C 41.53 . 1 1211 . 137 LEU CD1 C 23.21 . 2 1212 . 137 LEU CD2 C 25.13 . 2 1213 . 137 LEU N N 120.00 . 1 1214 . 138 ALA H H 7.94 . 1 1215 . 138 ALA HA H 4.27 . 1 1216 . 138 ALA HB H 1.47 . 1 1217 . 138 ALA C C 178.34 . 1 1218 . 138 ALA CA C 54.24 . 1 1219 . 138 ALA CB C 17.99 . 1 1220 . 138 ALA N N 122.63 . 1 1221 . 139 HIS H H 7.56 . 1 1222 . 139 HIS HA H 4.97 . 1 1223 . 139 HIS HB2 H 3.62 . 2 1224 . 139 HIS HB3 H 3.03 . 2 1225 . 139 HIS HD2 H 7.29 . 1 1226 . 139 HIS C C 175.39 . 1 1227 . 139 HIS CA C 55.88 . 1 1228 . 139 HIS CB C 28.82 . 1 1229 . 139 HIS N N 116.90 . 1 1230 . 140 SER H H 7.85 . 1 1231 . 140 SER HA H 4.15 . 1 1232 . 140 SER HB2 H 4.22 . 2 1233 . 140 SER C C 174.42 . 1 1234 . 140 SER CA C 63.16 . 1 1235 . 140 SER CB C 64.74 . 1 1236 . 140 SER N N 115.31 . 1 1237 . 141 ASP H H 8.85 . 1 1238 . 141 ASP HA H 4.19 . 1 1239 . 141 ASP HB2 H 2.63 . 2 1240 . 141 ASP C C 179.19 . 1 1241 . 141 ASP CA C 58.48 . 1 1242 . 141 ASP CB C 40.11 . 1 1243 . 141 ASP N N 120.50 . 1 1244 . 142 GLY H H 8.53 . 1 1245 . 142 GLY HA2 H 3.85 . 1 1246 . 142 GLY HA3 H 3.85 . 1 1247 . 142 GLY C C 176.33 . 1 1248 . 142 GLY CA C 46.94 . 1 1249 . 142 GLY N N 107.93 . 1 1250 . 143 LEU H H 7.43 . 1 1251 . 143 LEU HA H 4.10 . 1 1252 . 143 LEU HB2 H 2.05 . 2 1253 . 143 LEU HB3 H 1.34 . 2 1254 . 143 LEU HG H 1.01 . 1 1255 . 143 LEU HD1 H 0.78 . 2 1256 . 143 LEU HD2 H 0.90 . 2 1257 . 143 LEU C C 178.96 . 1 1258 . 143 LEU CA C 57.53 . 1 1259 . 143 LEU CB C 42.94 . 1 1260 . 143 LEU CD1 C 23.21 . 2 1261 . 143 LEU CD2 C 27.05 . 2 1262 . 143 LEU N N 122.02 . 1 1263 . 144 ILE H H 8.84 . 1 1264 . 144 ILE HA H 3.61 . 1 1265 . 144 ILE HB H 1.83 . 1 1266 . 144 ILE HG12 H 1.87 . 2 1267 . 144 ILE HG2 H 0.66 . 1 1268 . 144 ILE HD1 H 0.85 . 1 1269 . 144 ILE C C 178.93 . 1 1270 . 144 ILE CA C 65.76 . 1 1271 . 144 ILE CB C 37.77 . 1 1272 . 144 ILE CG2 C 17.52 . 1 1273 . 144 ILE CD1 C 13.71 . 1 1274 . 144 ILE N N 121.35 . 1 1275 . 145 LYS H H 7.72 . 1 1276 . 145 LYS HA H 4.09 . 1 1277 . 145 LYS HB2 H 2.01 . 1 1278 . 145 LYS HB3 H 1.91 . 2 1279 . 145 LYS HG2 H 1.70 . 2 1280 . 145 LYS HD2 H 1.44 . 2 1281 . 145 LYS HE2 H 3.01 . 2 1282 . 145 LYS C C 178.45 . 1 1283 . 145 LYS CA C 59.88 . 1 1284 . 145 LYS CB C 31.88 . 1 1285 . 145 LYS CG C 25.25 . 1 1286 . 145 LYS CD C 28.86 . 1 1287 . 145 LYS CE C 42.29 . 1 1288 . 145 LYS N N 123.53 . 1 1289 . 146 ASN H H 7.85 . 1 1290 . 146 ASN HA H 4.42 . 1 1291 . 146 ASN HB2 H 2.75 . 2 1292 . 146 ASN HB3 H 2.64 . 2 1293 . 146 ASN C C 177.45 . 1 1294 . 146 ASN CA C 56.58 . 1 1295 . 146 ASN CB C 37.53 . 1 1296 . 146 ASN N N 117.97 . 1 1297 . 147 ILE H H 8.72 . 1 1298 . 147 ILE HA H 4.68 . 1 1299 . 147 ILE HB H 2.12 . 1 1300 . 147 ILE HG12 H 1.50 . 2 1301 . 147 ILE HG13 H 1.25 . 2 1302 . 147 ILE HG2 H 1.05 . 1 1303 . 147 ILE HD1 H 0.88 . 1 1304 . 147 ILE C C 177.82 . 1 1305 . 147 ILE CA C 61.53 . 1 1306 . 147 ILE CB C 37.28 . 1 1307 . 147 ILE CG2 C 20.83 . 1 1308 . 147 ILE CD1 C 13.59 . 1 1309 . 147 ILE N N 120.09 . 1 1310 . 148 SER H H 8.38 . 1 1311 . 148 SER HA H 4.12 . 1 1312 . 148 SER C C 176.88 . 1 1313 . 148 SER CA C 63.90 . 1 1314 . 148 SER CB C 62.69 . 1 1315 . 148 SER N N 121.56 . 1 1316 . 149 ASP H H 8.48 . 1 1317 . 149 ASP HA H 4.48 . 1 1318 . 149 ASP HB2 H 2.97 . 2 1319 . 149 ASP HB3 H 2.70 . 2 1320 . 149 ASP C C 179.96 . 1 1321 . 149 ASP CA C 57.77 . 1 1322 . 149 ASP CB C 39.88 . 1 1323 . 149 ASP N N 124.37 . 1 1324 . 150 ASP H H 9.04 . 1 1325 . 150 ASP HA H 5.02 . 1 1326 . 150 ASP HB2 H 2.51 . 2 1327 . 150 ASP C C 181.65 . 1 1328 . 150 ASP CA C 58.47 . 1 1329 . 150 ASP CB C 39.41 . 1 1330 . 150 ASP N N 123.22 . 1 1331 . 151 LEU H H 9.74 . 1 1332 . 151 LEU HA H 4.31 . 1 1333 . 151 LEU HB2 H 2.07 . 2 1334 . 151 LEU HG H 2.03 . 1 1335 . 151 LEU HD1 H 0.04 . 2 1336 . 151 LEU HD2 H 0.82 . 2 1337 . 151 LEU C C 178.77 . 1 1338 . 151 LEU CA C 58.48 . 1 1339 . 151 LEU CB C 41.55 . 1 1340 . 151 LEU CD1 C 26.39 . 2 1341 . 151 LEU CD2 C 22.79 . 2 1342 . 151 LEU N N 125.00 . 1 1343 . 152 ARG H H 7.80 . 1 1344 . 152 ARG HA H 3.93 . 1 1345 . 152 ARG HB2 H 2.15 . 2 1346 . 152 ARG HG2 H 2.02 . 2 1347 . 152 ARG HG3 H 1.66 . 2 1348 . 152 ARG HD2 H 3.34 . 2 1349 . 152 ARG C C 178.18 . 1 1350 . 152 ARG CA C 60.36 . 1 1351 . 152 ARG CB C 29.52 . 1 1352 . 152 ARG CG C 28.56 . 1 1353 . 152 ARG CD C 43.34 . 1 1354 . 152 ARG N N 120.32 . 1 1355 . 153 ALA H H 7.38 . 1 1356 . 153 ALA HA H 4.28 . 1 1357 . 153 ALA HB H 1.80 . 1 1358 . 153 ALA C C 180.61 . 1 1359 . 153 ALA CA C 54.94 . 1 1360 . 153 ALA CB C 18.24 . 1 1361 . 153 ALA N N 121.23 . 1 1362 . 154 LEU H H 7.44 . 1 1363 . 154 LEU HA H 3.34 . 1 1364 . 154 LEU HB2 H 1.52 . 2 1365 . 154 LEU HG H 1.10 . 1 1366 . 154 LEU HD1 H 0.21 . 2 1367 . 154 LEU HD2 H -0.15 . 2 1368 . 154 LEU C C 177.80 . 1 1369 . 154 LEU CA C 56.82 . 1 1370 . 154 LEU CB C 40.13 . 1 1371 . 154 LEU CD1 C 26.38 . 2 1372 . 154 LEU CD2 C 20.97 . 2 1373 . 154 LEU N N 120.12 . 1 1374 . 155 ASP H H 7.76 . 1 1375 . 155 ASP HA H 3.95 . 1 1376 . 155 ASP HB2 H 2.78 . 2 1377 . 155 ASP HB3 H 2.60 . 2 1378 . 155 ASP C C 176.52 . 1 1379 . 155 ASP CA C 58.24 . 1 1380 . 155 ASP CB C 44.12 . 1 1381 . 155 ASP N N 118.18 . 1 1382 . 156 LYS H H 6.63 . 1 1383 . 156 LYS HA H 4.11 . 1 1384 . 156 LYS HB2 H 1.75 . 2 1385 . 156 LYS C C 177.18 . 1 1386 . 156 LYS CA C 57.07 . 1 1387 . 156 LYS CB C 33.05 . 1 1388 . 156 LYS N N 110.06 . 1 1389 . 157 LEU H H 7.88 . 1 1390 . 157 LEU HA H 4.20 . 1 1391 . 157 LEU HB2 H 1.63 . 2 1392 . 157 LEU HB3 H 1.46 . 2 1393 . 157 LEU HG H 1.68 . 1 1394 . 157 LEU HD1 H 0.72 . 2 1395 . 157 LEU HD2 H 0.60 . 2 1396 . 157 LEU C C 176.52 . 1 1397 . 157 LEU CA C 54.47 . 1 1398 . 157 LEU CB C 42.46 . 1 1399 . 157 LEU CD1 C 21.64 . 2 1400 . 157 LEU CD2 C 24.80 . 2 1401 . 157 LEU N N 117.32 . 1 1402 . 158 ILE H H 6.52 . 1 1403 . 158 ILE HA H 3.82 . 1 1404 . 158 ILE HB H 1.55 . 1 1405 . 158 ILE HG12 H 1.32 . 2 1406 . 158 ILE HG13 H 0.77 . 1 1407 . 158 ILE HG2 H 0.57 . 1 1408 . 158 ILE HD1 H 0.37 . 1 1409 . 158 ILE C C 177.10 . 1 1410 . 158 ILE CA C 61.29 . 1 1411 . 158 ILE CB C 37.29 . 1 1412 . 158 ILE CG2 C 18.04 . 1 1413 . 158 ILE CD1 C 13.08 . 1 1414 . 158 ILE N N 116.58 . 1 1415 . 159 VAL H H 9.41 . 1 1416 . 159 VAL HA H 3.68 . 1 1417 . 159 VAL HB H 1.66 . 1 1418 . 159 VAL HG1 H 1.15 . 2 1419 . 159 VAL HG2 H 0.95 . 2 1420 . 159 VAL C C 176.46 . 1 1421 . 159 VAL CA C 66.27 . 1 1422 . 159 VAL CB C 32.79 . 1 1423 . 159 VAL CG1 C 23.17 . 2 1424 . 159 VAL CG2 C 21.62 . 2 1425 . 159 VAL N N 133.03 . 1 1426 . 160 LYS H H 7.20 . 1 1427 . 160 LYS HA H 4.87 . 1 1428 . 160 LYS HB2 H 1.88 . 2 1429 . 160 LYS CA C 53.02 . 1 1430 . 160 LYS CB C 36.58 . 1 1431 . 160 LYS N N 115.92 . 1 1432 . 161 PRO HA H 4.39 . 1 1433 . 161 PRO HB2 H 2.26 . 2 1434 . 161 PRO HB3 H 1.77 . 2 1435 . 161 PRO HG2 H 2.06 . 2 1436 . 161 PRO HG3 H 1.96 . 2 1437 . 161 PRO HD2 H 3.72 . 2 1438 . 161 PRO C C 173.69 . 1 1439 . 161 PRO CA C 64.35 . 1 1440 . 161 PRO CB C 31.64 . 1 1441 . 161 PRO CG C 27.28 . 1 1442 . 161 PRO CD C 50.22 . 1 1443 . 162 ASN H H 7.24 . 1 1444 . 162 ASN HA H 4.51 . 1 1445 . 162 ASN HB2 H 2.90 . 2 1446 . 162 ASN HB3 H 2.40 . 2 1447 . 162 ASN C C 174.77 . 1 1448 . 162 ASN CA C 51.42 . 1 1449 . 162 ASN CB C 38.93 . 1 1450 . 162 ASN N N 106.03 . 1 1451 . 163 ALA H H 7.02 . 1 1452 . 163 ALA HA H 4.68 . 1 1453 . 163 ALA HB H 1.01 . 1 1454 . 163 ALA C C 177.29 . 1 1455 . 163 ALA CA C 53.06 . 1 1456 . 163 ALA CB C 19.42 . 1 1457 . 163 ALA N N 117.62 . 1 1458 . 164 VAL H H 10.98 . 1 1459 . 164 VAL HA H 3.74 . 1 1460 . 164 VAL HB H 1.70 . 1 1461 . 164 VAL HG1 H 0.60 . 2 1462 . 164 VAL HG2 H 0.77 . 2 1463 . 164 VAL C C 174.74 . 1 1464 . 164 VAL CA C 66.47 . 1 1465 . 164 VAL CB C 30.71 . 1 1466 . 164 VAL CG1 C 22.92 . 2 1467 . 164 VAL CG2 C 19.54 . 2 1468 . 164 VAL N N 131.27 . 1 1469 . 165 ASN H H 8.98 . 1 1470 . 165 ASN HA H 5.30 . 1 1471 . 165 ASN HB2 H 3.10 . 2 1472 . 165 ASN HB3 H 2.67 . 2 1473 . 165 ASN C C 177.33 . 1 1474 . 165 ASN CA C 52.36 . 1 1475 . 165 ASN CB C 39.19 . 1 1476 . 165 ASN N N 114.98 . 1 1477 . 166 GLY H H 8.03 . 1 1478 . 166 GLY HA2 H 4.72 . 2 1479 . 166 GLY HA3 H 3.12 . 2 1480 . 166 GLY C C 171.89 . 1 1481 . 166 GLY CA C 46.01 . 1 1482 . 166 GLY N N 111.49 . 1 1483 . 167 GLU H H 6.76 . 1 1484 . 167 GLU HA H 4.40 . 1 1485 . 167 GLU HB2 H 1.93 . 2 1486 . 167 GLU HB3 H 1.89 . 2 1487 . 167 GLU HG2 H 2.27 . 2 1488 . 167 GLU C C 176.00 . 1 1489 . 167 GLU CA C 54.46 . 1 1490 . 167 GLU CB C 32.35 . 1 1491 . 167 GLU CG C 35.39 . 1 1492 . 167 GLU N N 118.71 . 1 1493 . 168 LEU H H 9.36 . 1 1494 . 168 LEU HA H 4.16 . 1 1495 . 168 LEU HB2 H 1.90 . 2 1496 . 168 LEU HB3 H 1.46 . 2 1497 . 168 LEU HG H 1.75 . 1 1498 . 168 LEU HD1 H 1.00 . 2 1499 . 168 LEU HD2 H 0.91 . 2 1500 . 168 LEU C C 175.10 . 1 1501 . 168 LEU CA C 57.29 . 1 1502 . 168 LEU CB C 42.39 . 1 1503 . 168 LEU CD1 C 25.82 . 2 1504 . 168 LEU CD2 C 25.23 . 1 1505 . 168 LEU N N 130.91 . 1 1506 . 169 SER H H 9.27 . 1 1507 . 169 SER HA H 4.73 . 1 1508 . 169 SER HB2 H 3.81 . 2 1509 . 169 SER C C 175.32 . 1 1510 . 169 SER CA C 57.29 . 1 1511 . 169 SER CB C 69.54 . 1 1512 . 169 SER N N 115.22 . 1 1513 . 170 GLU H H 9.54 . 1 1514 . 170 GLU HA H 3.90 . 1 1515 . 170 GLU HB2 H 2.20 . 2 1516 . 170 GLU HB3 H 1.85 . 2 1517 . 170 GLU HG2 H 2.55 . 2 1518 . 170 GLU C C 177.69 . 1 1519 . 170 GLU CA C 60.12 . 1 1520 . 170 GLU CB C 29.75 . 1 1521 . 170 GLU CG C 38.59 . 1 1522 . 170 GLU N N 118.90 . 1 1523 . 171 ASP H H 7.91 . 1 1524 . 171 ASP HA H 4.46 . 1 1525 . 171 ASP HB2 H 2.48 . 2 1526 . 171 ASP C C 178.44 . 1 1527 . 171 ASP CA C 58.22 . 1 1528 . 171 ASP CB C 39.65 . 1 1529 . 171 ASP N N 117.74 . 1 1530 . 172 ASP H H 7.65 . 1 1531 . 172 ASP HA H 4.59 . 1 1532 . 172 ASP HB2 H 2.85 . 2 1533 . 172 ASP HB3 H 2.52 . 2 1534 . 172 ASP C C 177.52 . 1 1535 . 172 ASP CA C 58.95 . 1 1536 . 172 ASP CB C 41.77 . 1 1537 . 172 ASP N N 117.98 . 1 1538 . 173 ILE H H 6.59 . 1 1539 . 173 ILE HA H 4.24 . 1 1540 . 173 ILE HB H 2.58 . 1 1541 . 173 ILE HG12 H 1.77 . 2 1542 . 173 ILE HG13 H 1.29 . 2 1543 . 173 ILE HG2 H 0.97 . 1 1544 . 173 ILE HD1 H 0.80 . 1 1545 . 173 ILE C C 174.69 . 1 1546 . 173 ILE CA C 59.88 . 1 1547 . 173 ILE CB C 34.95 . 1 1548 . 173 ILE CG2 C 18.61 . 1 1549 . 173 ILE CD1 C 8.30 . 1 1550 . 173 ILE N N 116.29 . 1 1551 . 174 GLN H H 7.33 . 1 1552 . 174 GLN HA H 4.39 . 1 1553 . 174 GLN HB2 H 2.27 . 2 1554 . 174 GLN HB3 H 1.86 . 2 1555 . 174 GLN C C 178.42 . 1 1556 . 174 GLN CA C 56.59 . 1 1557 . 174 GLN CB C 28.58 . 1 1558 . 174 GLN N N 110.37 . 1 1559 . 175 LEU H H 8.31 . 1 1560 . 175 LEU HA H 4.58 . 1 1561 . 175 LEU HB2 H 2.24 . 2 1562 . 175 LEU HB3 H 1.51 . 2 1563 . 175 LEU HG H 1.55 . 1 1564 . 175 LEU HD1 H 0.66 . 2 1565 . 175 LEU HD2 H 0.99 . 2 1566 . 175 LEU C C 177.68 . 1 1567 . 175 LEU CA C 57.29 . 1 1568 . 175 LEU CB C 44.81 . 1 1569 . 175 LEU CD1 C 26.79 . 2 1570 . 175 LEU CD2 C 23.91 . 2 1571 . 175 LEU N N 118.34 . 1 1572 . 176 PHE H H 8.46 . 1 1573 . 176 PHE HA H 4.34 . 1 1574 . 176 PHE HD1 H 7.07 . 3 1575 . 176 PHE CA C 64.12 . 1 1576 . 176 PHE CB C 35.87 . 1 1577 . 176 PHE N N 117.02 . 1 1578 . 177 PRO HA H 3.58 . 1 1579 . 177 PRO HB2 H 2.26 . 2 1580 . 177 PRO HG2 H 2.21 . 2 1581 . 177 PRO HD2 H 4.11 . 2 1582 . 177 PRO HD3 H 4.07 . 2 1583 . 177 PRO C C 177.14 . 1 1584 . 177 PRO CA C 67.48 . 1 1585 . 177 PRO CB C 32.05 . 1 1586 . 177 PRO CG C 27.31 . 1 1587 . 177 PRO CD C 51.66 . 1 1588 . 178 LEU H H 6.54 . 1 1589 . 178 LEU HA H 4.20 . 1 1590 . 178 LEU C C 178.21 . 1 1591 . 178 LEU CA C 57.76 . 1 1592 . 178 LEU CB C 41.75 . 1 1593 . 178 LEU N N 113.53 . 1 1594 . 179 LEU H H 7.49 . 1 1595 . 179 LEU HA H 4.20 . 1 1596 . 179 LEU HG H 2.17 . 1 1597 . 179 LEU HD1 H 0.95 . 2 1598 . 179 LEU HD2 H 1.20 . 2 1599 . 179 LEU C C 177.98 . 1 1600 . 179 LEU CA C 58.00 . 1 1601 . 179 LEU CB C 41.54 . 1 1602 . 179 LEU CG C 26.00 . 1 1603 . 179 LEU CD1 C 21.10 . 2 1604 . 179 LEU CD2 C 27.25 . 2 1605 . 179 LEU N N 115.12 . 1 1606 . 180 ARG H H 8.64 . 1 1607 . 180 ARG HA H 3.44 . 1 1608 . 180 ARG C C 180.85 . 1 1609 . 180 ARG CA C 59.64 . 1 1610 . 180 ARG CB C 30.23 . 1 1611 . 180 ARG N N 115.94 . 1 1612 . 181 ASN H H 8.20 . 1 1613 . 181 ASN HA H 4.97 . 1 1614 . 181 ASN HB2 H 3.09 . 2 1615 . 181 ASN HB3 H 2.89 . 2 1616 . 181 ASN C C 177.34 . 1 1617 . 181 ASN CA C 55.65 . 1 1618 . 181 ASN CB C 37.06 . 1 1619 . 181 ASN N N 122.89 . 1 1620 . 182 LEU H H 8.83 . 1 1621 . 182 LEU HA H 4.20 . 1 1622 . 182 LEU HG H 2.15 . 2 1623 . 182 LEU HD1 H 0.78 . 2 1624 . 182 LEU HD2 H 0.81 . 1 1625 . 182 LEU C C 179.15 . 1 1626 . 182 LEU CA C 57.53 . 1 1627 . 182 LEU CB C 42.24 . 1 1628 . 182 LEU CD1 C 26.15 . 2 1629 . 182 LEU CD2 C 21.70 . 2 1630 . 182 LEU N N 118.83 . 1 1631 . 183 THR H H 7.68 . 1 1632 . 183 THR HA H 4.47 . 1 1633 . 183 THR HB H 4.47 . 1 1634 . 183 THR HG2 H 1.37 . 1 1635 . 183 THR C C 174.25 . 1 1636 . 183 THR CA C 64.83 . 1 1637 . 183 THR CB C 69.77 . 1 1638 . 183 THR CG2 C 24.71 . 1 1639 . 183 THR N N 108.38 . 1 1640 . 184 LEU H H 7.91 . 1 1641 . 184 LEU HA H 4.18 . 1 1642 . 184 LEU HB2 H 1.47 . 2 1643 . 184 LEU HB3 H 1.35 . 2 1644 . 184 LEU HD1 H 1.09 . 2 1645 . 184 LEU HD2 H 1.08 . 2 1646 . 184 LEU C C 174.94 . 1 1647 . 184 LEU CA C 54.46 . 1 1648 . 184 LEU CB C 44.58 . 1 1649 . 184 LEU CD1 C 28.31 . 2 1650 . 184 LEU CD2 C 24.11 . 2 1651 . 184 LEU N N 120.96 . 1 1652 . 185 VAL H H 7.82 . 1 1653 . 185 VAL HA H 4.09 . 1 1654 . 185 VAL HB H 2.70 . 1 1655 . 185 VAL HG1 H 0.82 . 2 1656 . 185 VAL C C 175.27 . 1 1657 . 185 VAL CA C 60.41 . 1 1658 . 185 VAL CB C 30.47 . 1 1659 . 185 VAL CG1 C 21.90 . 2 1660 . 185 VAL N N 117.64 . 1 1661 . 186 ALA H H 8.78 . 1 1662 . 186 ALA HA H 4.20 . 1 1663 . 186 ALA HB H 1.13 . 1 1664 . 186 ALA C C 178.38 . 1 1665 . 186 ALA CA C 52.82 . 1 1666 . 186 ALA CB C 17.75 . 1 1667 . 186 ALA N N 131.88 . 1 1668 . 187 GLY H H 8.62 . 1 1669 . 187 GLY HA2 H 4.39 . 2 1670 . 187 GLY HA3 H 3.55 . 2 1671 . 187 GLY C C 175.00 . 1 1672 . 187 GLY CA C 44.84 . 1 1673 . 187 GLY N N 107.97 . 1 1674 . 188 ILE H H 6.76 . 1 1675 . 188 ILE HA H 3.22 . 1 1676 . 188 ILE HB H 1.68 . 1 1677 . 188 ILE HG12 H 1.65 . 2 1678 . 188 ILE HG2 H 0.89 . 1 1679 . 188 ILE HD1 H -0.26 . 1 1680 . 188 ILE C C 175.19 . 1 1681 . 188 ILE CA C 63.64 . 1 1682 . 188 ILE CB C 39.17 . 1 1683 . 188 ILE CG2 C 15.96 . 1 1684 . 188 ILE CD1 C 15.70 . 1 1685 . 188 ILE N N 119.11 . 1 1686 . 189 ASN H H 7.73 . 1 1687 . 189 ASN HA H 4.95 . 1 1688 . 189 ASN HB2 H 2.78 . 2 1689 . 189 ASN HB3 H 2.67 . 2 1690 . 189 ASN C C 174.18 . 1 1691 . 189 ASN CA C 51.88 . 1 1692 . 189 ASN CB C 38.94 . 1 1693 . 189 ASN N N 126.13 . 1 1694 . 190 TRP H H 9.13 . 1 1695 . 190 TRP HA H 4.44 . 1 1696 . 190 TRP HB2 H 3.22 . 2 1697 . 190 TRP HD1 H 7.39 . 1 1698 . 190 TRP HE1 H 10.99 . 1 1699 . 190 TRP CA C 55.65 . 1 1700 . 190 TRP CB C 28.35 . 1 1701 . 190 TRP N N 128.14 . 1 1702 . 190 TRP NE1 N 132.15 . 1 1703 . 192 SER HA H 4.01 . 1 1704 . 192 SER HB2 H 4.18 . 2 1705 . 192 SER C C 176.55 . 1 1706 . 192 SER CA C 63.18 . 1 1707 . 192 SER CB C 63.41 . 1 1708 . 193 ARG H H 9.48 . 1 1709 . 193 ARG HA H 4.32 . 1 1710 . 193 ARG HB2 H 1.75 . 2 1711 . 193 ARG HG2 H 1.84 . 2 1712 . 193 ARG HD2 H 3.29 . 2 1713 . 193 ARG C C 181.00 . 1 1714 . 193 ARG CA C 60.11 . 1 1715 . 193 ARG CB C 29.05 . 1 1716 . 193 ARG CG C 28.47 . 1 1717 . 193 ARG CD C 43.45 . 1 1718 . 193 ARG N N 122.92 . 1 1719 . 194 VAL H H 7.75 . 1 1720 . 194 VAL HA H 3.63 . 1 1721 . 194 VAL HB H 2.26 . 1 1722 . 194 VAL HG1 H 1.37 . 2 1723 . 194 VAL HG2 H 1.16 . 2 1724 . 194 VAL C C 177.47 . 1 1725 . 194 VAL CA C 66.23 . 1 1726 . 194 VAL CB C 32.35 . 1 1727 . 194 VAL CG1 C 23.83 . 2 1728 . 194 VAL CG2 C 22.32 . 2 1729 . 194 VAL N N 118.71 . 1 1730 . 195 ALA H H 8.68 . 1 1731 . 195 ALA HA H 3.62 . 1 1732 . 195 ALA HB H 1.41 . 1 1733 . 195 ALA C C 178.30 . 1 1734 . 195 ALA CA C 55.88 . 1 1735 . 195 ALA CB C 17.77 . 1 1736 . 195 ALA N N 122.14 . 1 1737 . 196 ASP H H 8.19 . 1 1738 . 196 ASP HA H 4.38 . 1 1739 . 196 ASP HB2 H 2.85 . 2 1740 . 196 ASP HB3 H 2.62 . 2 1741 . 196 ASP C C 178.88 . 1 1742 . 196 ASP CA C 57.53 . 1 1743 . 196 ASP CB C 40.58 . 1 1744 . 196 ASP N N 116.94 . 1 1745 . 197 TYR H H 7.90 . 1 1746 . 197 TYR HA H 5.11 . 1 1747 . 197 TYR HB2 H 3.14 . 2 1748 . 197 TYR C C 176.06 . 1 1749 . 197 TYR CA C 60.11 . 1 1750 . 197 TYR CB C 39.42 . 1 1751 . 197 TYR N N 122.46 . 1 1752 . 198 ARG H H 8.93 . 1 1753 . 198 ARG HA H 3.72 . 1 1754 . 198 ARG C C 177.34 . 1 1755 . 198 ARG CA C 59.64 . 1 1756 . 198 ARG CB C 30.69 . 1 1757 . 198 ARG N N 120.25 . 1 1758 . 199 ASP H H 8.62 . 1 1759 . 199 ASP HA H 4.33 . 1 1760 . 199 ASP C C 179.21 . 1 1761 . 199 ASP CA C 57.29 . 1 1762 . 199 ASP CB C 39.65 . 1 1763 . 199 ASP N N 118.44 . 1 1764 . 200 ASN H H 8.52 . 1 1765 . 200 ASN HA H 4.23 . 1 1766 . 200 ASN HB2 H 2.83 . 1 1767 . 200 ASN HB3 H 2.78 . 1 1768 . 200 ASN C C 178.23 . 1 1769 . 200 ASN CA C 57.06 . 1 1770 . 200 ASN CB C 39.41 . 1 1771 . 200 ASN N N 121.75 . 1 1772 . 201 MET H H 9.06 . 1 1773 . 201 MET HA H 4.14 . 1 1774 . 201 MET HE H 1.74 . 1 1775 . 201 MET C C 179.61 . 1 1776 . 201 MET CA C 55.65 . 1 1777 . 201 MET CB C 28.82 . 1 1778 . 201 MET CG C 31.59 . 1 1779 . 201 MET CE C 15.87 . 1 1780 . 201 MET N N 119.23 . 1 1781 . 202 ALA H H 8.19 . 1 1782 . 202 ALA HA H 3.84 . 1 1783 . 202 ALA HB H 1.72 . 1 1784 . 202 ALA C C 178.99 . 1 1785 . 202 ALA CA C 56.11 . 1 1786 . 202 ALA CB C 17.30 . 1 1787 . 202 ALA N N 125.36 . 1 1788 . 203 LYS H H 7.29 . 1 1789 . 203 LYS HA H 4.00 . 1 1790 . 203 LYS HB2 H 1.94 . 2 1791 . 203 LYS HG2 H 1.44 . 2 1792 . 203 LYS HD2 H 1.66 . 2 1793 . 203 LYS HE2 H 2.95 . 2 1794 . 203 LYS C C 180.17 . 1 1795 . 203 LYS CA C 59.19 . 1 1796 . 203 LYS CB C 32.11 . 1 1797 . 203 LYS CG C 24.88 . 1 1798 . 203 LYS CD C 29.29 . 1 1799 . 203 LYS CE C 42.04 . 1 1800 . 203 LYS N N 117.66 . 1 1801 . 204 GLN H H 8.46 . 1 1802 . 204 GLN HA H 4.00 . 1 1803 . 204 GLN HB2 H 2.03 . 2 1804 . 204 GLN HG2 H 2.30 . 2 1805 . 204 GLN C C 177.43 . 1 1806 . 204 GLN CA C 59.17 . 1 1807 . 204 GLN CB C 30.47 . 1 1808 . 204 GLN CG C 35.03 . 1 1809 . 204 GLN N N 117.38 . 1 1810 . 205 THR H H 7.78 . 1 1811 . 205 THR HA H 3.89 . 1 1812 . 205 THR HB H 4.15 . 1 1813 . 205 THR HG2 H 1.05 . 1 1814 . 205 THR C C 174.25 . 1 1815 . 205 THR CA C 62.46 . 1 1816 . 205 THR CB C 70.72 . 1 1817 . 205 THR CG2 C 22.64 . 1 1818 . 205 THR N N 103.44 . 1 1819 . 206 GLN H H 7.64 . 1 1820 . 206 GLN HA H 3.85 . 1 1821 . 206 GLN HB2 H 2.31 . 2 1822 . 206 GLN HG2 H 2.25 . 2 1823 . 206 GLN C C 174.41 . 1 1824 . 206 GLN CA C 57.29 . 1 1825 . 206 GLN CB C 25.77 . 1 1826 . 206 GLN CG C 34.16 . 1 1827 . 206 GLN N N 116.19 . 1 1828 . 207 ILE H H 7.70 . 1 1829 . 207 ILE HA H 3.96 . 1 1830 . 207 ILE HB H 1.77 . 1 1831 . 207 ILE HG12 H 1.70 . 2 1832 . 207 ILE HG13 H 0.69 . 2 1833 . 207 ILE HG2 H 0.95 . 1 1834 . 207 ILE HD1 H 0.90 . 1 1835 . 207 ILE C C 173.95 . 1 1836 . 207 ILE CA C 61.53 . 1 1837 . 207 ILE CB C 39.89 . 1 1838 . 207 ILE CG2 C 18.50 . 1 1839 . 207 ILE CD1 C 15.19 . 1 1840 . 207 ILE N N 120.39 . 1 1841 . 208 ASN H H 8.35 . 1 1842 . 208 ASN HA H 4.50 . 1 1843 . 208 ASN HB2 H 2.63 . 2 1844 . 208 ASN C C 175.32 . 1 1845 . 208 ASN CA C 53.99 . 1 1846 . 208 ASN CB C 38.00 . 1 1847 . 208 ASN N N 121.63 . 1 1848 . 209 LEU H H 8.74 . 1 1849 . 209 LEU HA H 4.38 . 1 1850 . 209 LEU HG H 2.05 . 1 1851 . 209 LEU HD1 H 0.93 . 2 1852 . 209 LEU HD2 H 0.95 . 2 1853 . 209 LEU C C 177.01 . 1 1854 . 209 LEU CA C 53.54 . 1 1855 . 209 LEU CB C 41.53 . 1 1856 . 209 LEU CD1 C 25.10 . 2 1857 . 209 LEU CD2 C 20.85 . 2 1858 . 209 LEU N N 119.02 . 1 1859 . 210 LEU H H 8.33 . 1 1860 . 210 LEU HA H 4.62 . 1 1861 . 210 LEU HB2 H 1.78 . 2 1862 . 210 LEU HB3 H 1.62 . 2 1863 . 210 LEU HG H 1.37 . 1 1864 . 210 LEU HD1 H 0.82 . 2 1865 . 210 LEU HD2 H 1.39 . 2 1866 . 210 LEU C C 177.11 . 1 1867 . 210 LEU CA C 54.00 . 1 1868 . 210 LEU CB C 41.53 . 1 1869 . 210 LEU CD1 C 22.66 . 2 1870 . 210 LEU CD2 C 27.93 . 2 1871 . 210 LEU N N 116.94 . 1 1872 . 211 SER H H 7.30 . 1 1873 . 211 SER HA H 4.26 . 1 1874 . 211 SER HB2 H 3.96 . 2 1875 . 211 SER HB3 H 3.76 . 2 1876 . 211 SER CA C 60.82 . 1 1877 . 211 SER CB C 62.69 . 1 1878 . 211 SER N N 112.76 . 1 1879 . 212 SER HA H 4.25 . 1 1880 . 212 SER HB2 H 3.86 . 2 1881 . 212 SER C C 174.59 . 1 1882 . 212 SER CA C 60.64 . 1 1883 . 212 SER CB C 62.49 . 1 1884 . 213 MET H H 7.99 . 1 1885 . 213 MET HA H 4.64 . 1 1886 . 213 MET HB2 H 2.08 . 2 1887 . 213 MET HG2 H 2.43 . 2 1888 . 213 MET HG3 H 2.33 . 2 1889 . 213 MET HE H 1.60 . 1 1890 . 213 MET C C 174.28 . 1 1891 . 213 MET CA C 54.48 . 1 1892 . 213 MET CB C 34.46 . 1 1893 . 213 MET CG C 31.04 . 1 1894 . 213 MET CE C 16.67 . 1 1895 . 213 MET N N 119.97 . 1 1896 . 214 ALA H H 6.95 . 1 1897 . 214 ALA HA H 4.46 . 1 1898 . 214 ALA HB H 1.41 . 1 1899 . 214 ALA C C 177.64 . 1 1900 . 214 ALA CA C 53.78 . 1 1901 . 214 ALA CB C 18.94 . 1 1902 . 214 ALA N N 121.76 . 1 1903 . 215 ILE H H 8.59 . 1 1904 . 215 ILE HA H 4.27 . 1 1905 . 215 ILE HB H 1.83 . 1 1906 . 215 ILE HG12 H 1.50 . 2 1907 . 215 ILE HG13 H 1.27 . 2 1908 . 215 ILE HG2 H 1.00 . 1 1909 . 215 ILE HD1 H 0.94 . 1 1910 . 215 ILE CA C 62.71 . 1 1911 . 215 ILE CB C 43.18 . 1 1912 . 215 ILE CG2 C 18.68 . 1 1913 . 215 ILE CD1 C 14.90 . 1 1914 . 215 ILE N N 123.16 . 1 stop_ save_